global	data_global
global	_publ_contact_author_name        'Neil Burford'
global	_publ_contact_author_address
global	;
global	   Department of Chemistry
global	   Dalhousie University
global	   Halifax, NS B3H 4J3
global	   CANADA
global	;
global	_publ_contact_author_email       burford@chem1.chem.dal.ca
global	_publ_contact_author_fax         '(902) 494-1310'
global	_publ_contact_author_phone       '(902) 494-3190'
global	_publ_requested_journal          Organometallics
global	_publ_section_title
global	;
global	 Synthesis and characterization of the
global	 bis(2,4,6-tris[trifluoromethyl]phenyl)derivatives of arsenic and
global	 antimony: X-ray crystal structures of As(R~F~)~2~Cl, Sb(R~F~)~2~Cl and
global	 Sb(R~F~)~2~OSO~2~CF~3~
global	;
global	_publ_section_title_footnote     ?
global	loop_
global	_publ_author_name
global	_publ_author_footnote
global	_publ_author_address
global	'Neil Burford'
global	;
global	 ?
global	;
global	;
global	   Department of Chemistry
global	   Dalhousie University
global	   Halifax, NS B3H 4J3
global	   CANADA
global	;
global	'Charles L.B. Macdonald'
global	;
global	 ?
global	;
global	;
global	   Department of Chemistry
global	   Dalhousie University
global	   Halifax, NS B3H 4J3
global	   CANADA
global	;
global	'Daren J. LeBlanc'
global	;
global	 ?
global	;
global	;
global	   Department of Chemistry
global	   Dalhousie University
global	   Halifax, NS B3H 4J3
global	   CANADA
global	;
global	'T. Stanley Cameron'
global	;
global	 ?
global	;
global	;
global	   Department of Chemistry
global	   Dalhousie University
global	   Halifax, NS B3H 4J3
global	   CANADA
global	;
global	_publ_section_references
global	;
global	 Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). SIR92.
global	 J. Appl. Cryst., 26, 343.
global	
global	 Beurskens, P.T., Admiraal, G., Beurskens, G., Bosman, W.P., de Gelder, R.,
global	 Israel, R. and Smits, J.M.M. (1994). DIRDIF94. The DIRDIF-94 program system,
global	 Technical Report of the Crystallography Laboratory, University of Nijmegen,
global	 The Netherlands.
global	
global	 Nonius, B.V. (1997). Delft, Holland.
global	
global	 Sheldrick, G.M. (1994). SHELXTL. Release 5.03. Siemens Analytical X-ray
global	 Instruments Inc., Madison, Wisconsin, USA.
global	
global	 Sheldrick, G.M. (1997). SHELX-97. Programs for the Solution and Refinement
global	 of Crystal Structures. University of G\"ottingen, Germany.
global	
global	 teXsan for Windows. (1997). Crystal Structure Analysis Package, Molecular
global	 Structure Corporation.
global	;
global	_publ_section_exptl_refinement
global	;
global	 For 2a, all non-hydrogen atoms were refined anisotropically.  The four H 
global	 atoms were found and refined with a common isotropic displacement parameter 
global	 (FVAR 2).  The H atoms were constrained to ride on their attached carbon 
global	 atoms but the coordinates were allowed to vary (AFIX 44) and the C-H bond 
global	 distances were restrained to be equal (SADI, su = 0.02).  The C18 and C28 
global	 CF~3~ groups were modelled as a two-positioned disorder with their C-F 
global	 distances restrained to be equal (SADI, su = 0.02).  Absorption was 
global	 corrected for based upon the redundancy of the data (DENZO-SMN, Nonius,
global	 1997).  Decay was negligible.
global	
global	 For 2b, 3 and 4, some non-hydrogen atoms were refined anisotropically while 
global	 the rest were refined isotropically.  Hydrogen atoms were included but not 
global	 refined.  The disordered CF~3~ groups were refined as rigid bodies riding on 
global	 the attached carbon atom; the fluorine anisotropic displacement parameters 
global	 were constrained to give a physically meaningful vibration along the C-F 
global	 bonds.
global	;
cm165_2a	data_cm165_2a
cm165_2a	_audit_creation_method           SHELXL-97
cm165_2a	_chemical_name_systematic        ?
cm165_2a	_chemical_name_common            ?
cm165_2a	_chemical_melting_point          98-100
cm165_2a	_chemical_formula_moiety         ?
cm165_2a	_chemical_formula_sum            'C18 H4 As Cl F18'
cm165_2a	_chemical_formula_weight         672.58
cm165_2a	_symmetry_cell_setting           orthorhombic
cm165_2a	_symmetry_space_group_name_H-M   'P 21 21 21'
cm165_2a	_cell_length_a                   8.6646(2)
cm165_2a	_cell_length_b                   9.69650(10)
cm165_2a	_cell_length_c                   25.4076(6)
cm165_2a	_cell_angle_alpha                90.00
cm165_2a	_cell_angle_beta                 90.00
cm165_2a	_cell_angle_gamma                90.00
cm165_2a	_cell_volume                     2134.65(7)
cm165_2a	_cell_formula_units_Z            4
cm165_2a	_cell_measurement_temperature    130(2)
cm165_2a	_cell_measurement_reflns_used    16157
cm165_2a	_cell_measurement_theta_min      2.48
cm165_2a	_cell_measurement_theta_max      26.37
cm165_2a	_exptl_crystal_description       plate
cm165_2a	_exptl_crystal_colour            colourless
cm165_2a	_exptl_crystal_size_max          0.30
cm165_2a	_exptl_crystal_size_mid          0.25
cm165_2a	_exptl_crystal_size_min          0.15
cm165_2a	_exptl_crystal_density_meas      ?
cm165_2a	_exptl_crystal_density_diffrn    2.093
cm165_2a	_exptl_crystal_density_method    'not measured'
cm165_2a	_exptl_crystal_F_000             1296
cm165_2a	_exptl_absorpt_coefficient_mu    1.880
cm165_2a	_exptl_absorpt_correction_type   multi-scan
cm165_2a	_exptl_absorpt_correction_T_min  0.602
cm165_2a	_exptl_absorpt_correction_T_max  0.766
cm165_2a	_exptl_absorpt_process_details   '(Nonius, 1997)'
cm165_2a	_exptl_special_details
cm165_2a	; 
cm165_2a	 ? 
cm165_2a	;
cm165_2a	_diffrn_ambient_temperature      130(2)
cm165_2a	_diffrn_radiation_wavelength     0.71073
cm165_2a	_diffrn_radiation_type           MoK\a
cm165_2a	_diffrn_radiation_source         'sealed tube (50 kV, 23 mA)'
cm165_2a	_diffrn_radiation_monochromator  graphite
cm165_2a	_diffrn_measurement_device_type  'Nonius KappaCCD'
cm165_2a	_diffrn_measurement_method       '1\% rotations on \f'
cm165_2a	_diffrn_detector_area_resol_mean 9.2
cm165_2a	_diffrn_standards_number         ?
cm165_2a	_diffrn_standards_interval_count ?
cm165_2a	_diffrn_standards_interval_time  ?
cm165_2a	_diffrn_standards_decay_%        0
cm165_2a	_diffrn_reflns_number            16157
cm165_2a	_diffrn_reflns_av_R_equivalents  0.0740
cm165_2a	_diffrn_reflns_av_sigmaI/netI    0.0413
cm165_2a	_diffrn_reflns_limit_h_min       -10
cm165_2a	_diffrn_reflns_limit_h_max       10
cm165_2a	_diffrn_reflns_limit_k_min       -11
cm165_2a	_diffrn_reflns_limit_k_max       11
cm165_2a	_diffrn_reflns_limit_l_min       -31
cm165_2a	_diffrn_reflns_limit_l_max       31
cm165_2a	_diffrn_reflns_theta_min         2.48
cm165_2a	_diffrn_reflns_theta_max         26.37
cm165_2a	_reflns_number_total             4353
cm165_2a	_reflns_number_gt                3925
cm165_2a	_reflns_threshold_expression     I>2sigma(I)
cm165_2a	_computing_data_collection       'KappaCCD Server software (Nonius, 1997)'
cm165_2a	_computing_cell_refinement       'DENZO-SMN (Nonius, 1997)'
cm165_2a	_computing_data_reduction        'DENZO-SMN (Nonius, 1997)'
cm165_2a	_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
cm165_2a	_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
cm165_2a	_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994)'
cm165_2a	_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
cm165_2a	_refine_special_details
cm165_2a	; 
cm165_2a	 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
cm165_2a	 goodness of fit S are based on F^2^, conventional R-factors R are based 
cm165_2a	 on F, with F set to zero for negative F^2^. The threshold expression of 
cm165_2a	 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
cm165_2a	 not relevant to the choice of reflections for refinement.  R-factors based 
cm165_2a	 on F^2^ are statistically about twice as large as those based on F, and R- 
cm165_2a	 factors based on ALL data will be even larger. 
cm165_2a	;
cm165_2a	_refine_ls_structure_factor_coef Fsqd
cm165_2a	_refine_ls_matrix_type           full
cm165_2a	_refine_ls_weighting_scheme      calc
cm165_2a	_refine_ls_weighting_details
cm165_2a	'calc w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+2.7658P] where P=(Fo^2^+2Fc^2^)/3'
cm165_2a	_atom_sites_solution_primary     direct
cm165_2a	_atom_sites_solution_secondary   difmap
cm165_2a	_atom_sites_solution_hydrogens   geom
cm165_2a	_refine_ls_hydrogen_treatment    mixed
cm165_2a	_refine_ls_extinction_method     none
cm165_2a	_refine_ls_extinction_coef       ?
cm165_2a	_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
cm165_2a	_refine_ls_abs_structure_Flack   0.002(10)
cm165_2a	_refine_ls_number_reflns         4353
cm165_2a	_refine_ls_number_parameters     402
cm165_2a	_refine_ls_number_restraints     36
cm165_2a	_refine_ls_R_factor_all          0.0403
cm165_2a	_refine_ls_R_factor_gt           0.0334
cm165_2a	_refine_ls_wR_factor_ref         0.0822
cm165_2a	_refine_ls_wR_factor_gt          0.0775
cm165_2a	_refine_ls_goodness_of_fit_ref   1.062
cm165_2a	_refine_ls_restrained_S_all      1.084
cm165_2a	_refine_ls_shift/su_max          0.001
cm165_2a	_refine_ls_shift/su_mean         0.000
cm165_2a	_geom_special_details
cm165_2a	; 
cm165_2a	 All esds (except the esd in the dihedral angle between two l.s. planes) 
cm165_2a	 are estimated using the full covariance matrix.  The cell esds are taken 
cm165_2a	 into account individually in the estimation of esds in distances, angles 
cm165_2a	 and torsion angles; correlations between esds in cell parameters are only 
cm165_2a	 used when they are defined by crystal symmetry.  An approximate (isotropic) 
cm165_2a	 treatment of cell esds is used for estimating esds involving l.s. planes. 
cm165_2a	;
cm165_2a	_diffrn_measured_fraction_theta_max 0.995
cm165_2a	_diffrn_reflns_theta_full        26.37
cm165_2a	_diffrn_measured_fraction_theta_full 0.995
cm165_2a	_refine_diff_density_max         0.451
cm165_2a	_refine_diff_density_min         -0.463
cm165_2a	_refine_diff_density_rms         0.070
cm165_2a	loop_
cm165_2a	_atom_type_symbol
cm165_2a	_atom_type_description
cm165_2a	_atom_type_scat_dispersion_real
cm165_2a	_atom_type_scat_dispersion_imag
cm165_2a	_atom_type_scat_source
cm165_2a	C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
cm165_2a	H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
cm165_2a	As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
cm165_2a	Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
cm165_2a	F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
cm165_2a	loop_
cm165_2a	_symmetry_equiv_pos_as_xyz
cm165_2a	'x, y, z'
cm165_2a	'-x+1/2, -y, z+1/2'
cm165_2a	'-x, y+1/2, -z+1/2'
cm165_2a	'x+1/2, -y+1/2, -z'
cm165_2a	loop_
cm165_2a	_atom_site_label
cm165_2a	_atom_site_type_symbol
cm165_2a	_atom_site_fract_x
cm165_2a	_atom_site_fract_y
cm165_2a	_atom_site_fract_z
cm165_2a	_atom_site_U_iso_or_equiv
cm165_2a	_atom_site_adp_type
cm165_2a	_atom_site_occupancy
cm165_2a	_atom_site_symmetry_multiplicity
cm165_2a	_atom_site_calc_flag
cm165_2a	_atom_site_refinement_flags
cm165_2a	_atom_site_disorder_assembly
cm165_2a	_atom_site_disorder_group
cm165_2a	As1 As 0.94158(4) 0.87273(4) 0.106997(15) 0.02487(10) Uani 1 1 d . . .
cm165_2a	Cl1 Cl 0.76045(13) 0.92249(13) 0.16416(5) 0.0436(3) Uani 1 1 d . . .
cm165_2a	C1 C 0.8803(5) 0.6783(4) 0.08702(15) 0.0245(8) Uani 1 1 d . . .
cm165_2a	C2 C 0.9869(5) 0.5692(4) 0.08221(16) 0.0264(9) Uani 1 1 d . . .
cm165_2a	C3 C 0.9397(5) 0.4367(4) 0.06979(15) 0.0279(8) Uani 1 1 d D . .
cm165_2a	H3A H 1.013(2) 0.365(2) 0.06756(16) 0.037(6) Uiso 1 1 c RD . .
cm165_2a	C4 C 0.7859(5) 0.4098(4) 0.06067(16) 0.0303(9) Uani 1 1 d . A .
cm165_2a	C5 C 0.6801(5) 0.5160(5) 0.06015(16) 0.0303(9) Uani 1 1 d D . .
cm165_2a	H5A H 0.576(3) 0.4981(7) 0.0517(3) 0.037(6) Uiso 1 1 c RD . .
cm165_2a	C6 C 0.7272(4) 0.6499(4) 0.07212(14) 0.0247(8) Uani 1 1 d . . .
cm165_2a	C7 C 1.1575(5) 0.5895(4) 0.08793(19) 0.0345(10) Uani 1 1 d . . .
cm165_2a	C8 C 0.7341(6) 0.2651(5) 0.0484(2) 0.0462(12) Uani 1 1 d D . .
cm165_2a	C9 C 0.6024(5) 0.7559(5) 0.06457(17) 0.0325(9) Uani 1 1 d . . .
cm165_2a	F1 F 1.2377(3) 0.5012(3) 0.05764(12) 0.0464(7) Uani 1 1 d . . .
cm165_2a	F2 F 1.2083(3) 0.5717(3) 0.13685(11) 0.0452(7) Uani 1 1 d . . .
cm165_2a	F3 F 1.2008(3) 0.7164(3) 0.07237(11) 0.0363(6) Uani 1 1 d . . .
cm165_2a	F4 F 0.6031(9) 0.2533(8) 0.0271(4) 0.082(3) Uani 0.65 1 d PD A 1
cm165_2a	F5 F 0.7214(12) 0.1937(6) 0.0938(3) 0.078(2) Uani 0.65 1 d PD A 1
cm165_2a	F6 F 0.8346(10) 0.1932(9) 0.0230(5) 0.096(4) Uani 0.65 1 d PD A 1
cm165_2a	F4A F 0.829(3) 0.1731(13) 0.0591(15) 0.194(19) Uani 0.35 1 d PD A 2
cm165_2a	F5A F 0.731(2) 0.2509(11) -0.0053(3) 0.070(3) Uani 0.35 1 d PD A 2
cm165_2a	F6A F 0.5920(18) 0.248(2) 0.0578(10) 0.137(13) Uani 0.35 1 d PD A 2
cm165_2a	F7 F 0.5082(3) 0.7219(3) 0.02430(10) 0.0411(6) Uani 1 1 d . . .
cm165_2a	F8 F 0.6570(3) 0.8812(3) 0.05298(9) 0.0378(5) Uani 1 1 d . . .
cm165_2a	F9 F 0.5101(3) 0.7685(3) 0.10666(11) 0.0430(6) Uani 1 1 d . . .
cm165_2a	C10 C 1.1029(4) 0.8592(4) 0.16391(14) 0.0240(8) Uani 1 1 d . . .
cm165_2a	C11 C 1.2261(5) 0.9536(4) 0.15782(16) 0.0257(8) Uani 1 1 d . . .
cm165_2a	C12 C 1.3394(5) 0.9673(4) 0.19561(16) 0.0279(9) Uani 1 1 d D . .
cm165_2a	H12A H 1.420(2) 1.0315(19) 0.1907(2) 0.037(6) Uiso 1 1 c RD . .
cm165_2a	C13 C 1.3350(4) 0.8867(5) 0.24093(15) 0.0299(9) Uani 1 1 d . B .
cm165_2a	C14 C 1.2147(5) 0.7955(4) 0.24808(17) 0.0326(9) Uani 1 1 d D . .
cm165_2a	H14A H 1.2106(5) 0.7419(16) 0.2791(9) 0.037(6) Uiso 1 1 c RD . .
cm165_2a	C15 C 1.0999(5) 0.7810(4) 0.21064(16) 0.0274(9) Uani 1 1 d . . .
cm165_2a	C16 C 1.2380(5) 1.0513(4) 0.11217(18) 0.0342(9) Uani 1 1 d . . .
cm165_2a	C17 C 1.4585(6) 0.9028(5) 0.28203(18) 0.0435(11) Uani 1 1 d D . .
cm165_2a	C18 C 0.9781(6) 0.6794(5) 0.22722(18) 0.0382(11) Uani 1 1 d . . .
cm165_2a	F10 F 1.3651(3) 1.1255(3) 0.11308(11) 0.0563(8) Uani 1 1 d . . .
cm165_2a	F11 F 1.2371(3) 0.9860(3) 0.06492(10) 0.0430(6) Uani 1 1 d . . .
cm165_2a	F12 F 1.1193(3) 1.1402(2) 0.11088(10) 0.0420(6) Uani 1 1 d . . .
cm165_2a	F13 F 1.423(3) 0.841(3) 0.3263(7) 0.132(12) Uani 0.33 1 d PD B 3
cm165_2a	F14 F 1.491(4) 1.0269(14) 0.2954(10) 0.158(14) Uani 0.33 1 d PD B 3
cm165_2a	F15 F 1.580(2) 0.831(3) 0.2742(8) 0.124(13) Uani 0.33 1 d PD B 3
cm165_2a	F13A F 1.5579(8) 1.0029(7) 0.2707(3) 0.0577(17) Uani 0.67 1 d PD B 4
cm165_2a	F14A F 1.5457(10) 0.7937(8) 0.2843(5) 0.083(4) Uani 0.67 1 d PD B 4
cm165_2a	F15A F 1.4018(13) 0.9273(15) 0.3283(3) 0.090(4) Uani 0.67 1 d PD B 4
cm165_2a	F16 F 0.8959(4) 0.7269(4) 0.26739(11) 0.0604(9) Uani 1 1 d . . .
cm165_2a	F17 F 1.0432(4) 0.5630(3) 0.24441(16) 0.0761(11) Uani 1 1 d . . .
cm165_2a	F18 F 0.8789(3) 0.6405(3) 0.19057(10) 0.0479(7) Uani 1 1 d . . .
cm165_2a	loop_
cm165_2a	_atom_site_aniso_label
cm165_2a	_atom_site_aniso_U_11
cm165_2a	_atom_site_aniso_U_22
cm165_2a	_atom_site_aniso_U_33
cm165_2a	_atom_site_aniso_U_23
cm165_2a	_atom_site_aniso_U_13
cm165_2a	_atom_site_aniso_U_12
cm165_2a	As1 0.02452(18) 0.02336(17) 0.02674(18) -0.00082(17) -0.00151(17) 0.00023(16)
cm165_2a	Cl1 0.0303(6) 0.0583(7) 0.0422(6) -0.0170(5) 0.0005(5) 0.0103(5)
cm165_2a	C1 0.0224(19) 0.028(2) 0.0228(18) -0.0007(15) 0.0032(16) -0.0020(15)
cm165_2a	C2 0.029(2) 0.027(2) 0.0237(19) -0.0047(16) -0.0017(16) -0.0018(16)
cm165_2a	C3 0.034(2) 0.0218(17) 0.0282(19) -0.0020(15) -0.0022(19) 0.0003(18)
cm165_2a	C4 0.034(2) 0.030(2) 0.027(2) -0.0024(16) 0.0007(17) -0.0086(17)
cm165_2a	C5 0.023(2) 0.040(2) 0.028(2) -0.0002(18) 0.0039(17) -0.0109(18)
cm165_2a	C6 0.0209(18) 0.030(2) 0.0232(18) 0.0015(16) 0.0009(15) -0.0001(15)
cm165_2a	C7 0.025(2) 0.032(2) 0.047(3) -0.0107(18) -0.0031(19) 0.0015(17)
cm165_2a	C8 0.046(3) 0.038(3) 0.055(3) -0.003(2) -0.003(3) -0.013(2)
cm165_2a	C9 0.023(2) 0.041(2) 0.034(2) 0.0004(19) -0.0010(17) -0.0005(17)
cm165_2a	F1 0.0261(13) 0.0451(15) 0.0681(19) -0.0279(14) 0.0025(13) 0.0073(12)
cm165_2a	F2 0.0381(15) 0.0453(15) 0.0521(17) -0.0110(13) -0.0197(13) 0.0135(12)
cm165_2a	F3 0.0200(13) 0.0388(14) 0.0500(16) -0.0097(12) 0.0042(11) -0.0042(10)
cm165_2a	F4 0.063(5) 0.042(3) 0.140(8) -0.013(5) -0.054(6) -0.015(4)
cm165_2a	F5 0.112(7) 0.030(3) 0.094(5) 0.010(3) -0.009(5) -0.020(4)
cm165_2a	F6 0.067(6) 0.065(6) 0.156(9) -0.071(6) 0.046(6) -0.028(4)
cm165_2a	F4A 0.16(2) 0.011(5) 0.41(5) 0.014(16) -0.23(3) 0.007(10)
cm165_2a	F5A 0.116(11) 0.040(5) 0.055(6) -0.014(4) 0.006(7) -0.032(7)
cm165_2a	F6A 0.102(15) 0.101(13) 0.21(2) -0.090(16) 0.115(18) -0.091(12)
cm165_2a	F7 0.0281(13) 0.0570(17) 0.0381(14) -0.0016(12) -0.0119(11) 0.0018(11)
cm165_2a	F8 0.0332(13) 0.0353(13) 0.0448(14) 0.0049(12) -0.0069(11) 0.0033(12)
cm165_2a	F9 0.0242(12) 0.0653(17) 0.0397(13) -0.0055(14) 0.0047(12) 0.0082(11)
cm165_2a	C10 0.0253(19) 0.0242(19) 0.0225(17) 0.0008(16) 0.0023(14) -0.0003(16)
cm165_2a	C11 0.025(2) 0.027(2) 0.0242(19) -0.0035(16) 0.0031(16) 0.0008(16)
cm165_2a	C12 0.025(2) 0.029(2) 0.029(2) -0.0049(16) 0.0007(17) -0.0015(16)
cm165_2a	C13 0.029(2) 0.035(2) 0.0256(19) -0.0076(17) -0.0021(16) 0.0067(18)
cm165_2a	C14 0.036(2) 0.033(2) 0.028(2) 0.0040(17) 0.0034(18) 0.0087(18)
cm165_2a	C15 0.031(2) 0.0238(19) 0.028(2) 0.0027(16) 0.0058(16) 0.0046(15)
cm165_2a	C16 0.034(2) 0.037(2) 0.031(2) 0.0042(19) 0.000(2) -0.0102(18)
cm165_2a	C17 0.040(3) 0.056(3) 0.035(2) -0.004(2) -0.009(2) 0.009(2)
cm165_2a	C18 0.042(3) 0.034(2) 0.038(2) 0.0083(19) 0.000(2) -0.0071(19)
cm165_2a	F10 0.0513(16) 0.0629(18) 0.0549(17) 0.0187(18) -0.0087(14) -0.0342(16)
cm165_2a	F11 0.0523(17) 0.0488(15) 0.0278(13) 0.0019(11) 0.0034(12) -0.0069(13)
cm165_2a	F12 0.0542(14) 0.0275(12) 0.0445(14) 0.0097(13) -0.0044(13) 0.0033(11)
cm165_2a	F13 0.077(17) 0.29(4) 0.034(10) 0.035(15) -0.028(10) -0.03(2)
cm165_2a	F14 0.26(3) 0.069(9) 0.14(2) -0.052(13) -0.16(2) 0.032(16)
cm165_2a	F15 0.036(8) 0.28(4) 0.054(8) -0.062(15) 0.001(6) 0.039(13)
cm165_2a	F13A 0.057(3) 0.069(5) 0.047(3) 0.000(3) -0.023(3) -0.029(3)
cm165_2a	F14A 0.073(7) 0.049(3) 0.127(10) -0.009(4) -0.067(6) 0.025(3)
cm165_2a	F15A 0.042(4) 0.205(11) 0.024(4) -0.034(5) 0.000(3) 0.010(6)
cm165_2a	F16 0.060(2) 0.085(2) 0.0359(16) -0.0056(15) 0.0193(14) -0.0295(17)
cm165_2a	F17 0.061(2) 0.0462(18) 0.121(3) 0.0457(19) -0.010(2) -0.0087(16)
cm165_2a	F18 0.0532(16) 0.0553(17) 0.0352(13) 0.0072(13) -0.0025(12) -0.0257(15)
cm165_2a	loop_
cm165_2a	_geom_bond_atom_site_label_1
cm165_2a	_geom_bond_atom_site_label_2
cm165_2a	_geom_bond_distance
cm165_2a	_geom_bond_site_symmetry_2
cm165_2a	_geom_bond_publ_flag
cm165_2a	As1 Cl1 2.1920(12) . ?
cm165_2a	As1 C1 2.023(4) . ?
cm165_2a	As1 C10 2.016(4) . ?
cm165_2a	C1 C6 1.407(5) . ?
cm165_2a	C1 C2 1.410(6) . ?
cm165_2a	C2 C3 1.386(5) . ?
cm165_2a	C2 C7 1.499(6) . ?
cm165_2a	C3 C4 1.378(6) . ?
cm165_2a	C3 H3A 0.9476 . ?
cm165_2a	C4 C5 1.379(6) . ?
cm165_2a	C4 C8 1.505(6) . ?
cm165_2a	C5 C6 1.394(6) . ?
cm165_2a	C5 H5A 0.9476 . ?
cm165_2a	C6 C9 1.504(6) . ?
cm165_2a	C7 F2 1.330(5) . ?
cm165_2a	C7 F1 1.345(5) . ?
cm165_2a	C7 F3 1.346(5) . ?
cm165_2a	C8 F4A 1.243(11) . ?
cm165_2a	C8 F4 1.264(7) . ?
cm165_2a	C8 F6A 1.265(12) . ?
cm165_2a	C8 F6 1.288(8) . ?
cm165_2a	C8 F5 1.348(7) . ?
cm165_2a	C8 F5A 1.372(9) . ?
cm165_2a	C9 F8 1.337(5) . ?
cm165_2a	C9 F9 1.341(5) . ?
cm165_2a	C9 F7 1.349(5) . ?
cm165_2a	C10 C15 1.409(5) . ?
cm165_2a	C10 C11 1.415(5) . ?
cm165_2a	C11 C12 1.379(6) . ?
cm165_2a	C11 C16 1.501(6) . ?
cm165_2a	C12 C13 1.392(6) . ?
cm165_2a	C12 H12A 0.9458 . ?
cm165_2a	C13 C14 1.379(6) . ?
cm165_2a	C13 C17 1.503(6) . ?
cm165_2a	C14 C15 1.384(6) . ?
cm165_2a	C14 H14A 0.9436 . ?
cm165_2a	C15 C18 1.504(6) . ?
cm165_2a	C16 F10 1.316(5) . ?
cm165_2a	C16 F12 1.343(5) . ?
cm165_2a	C16 F11 1.357(5) . ?
cm165_2a	C17 F15 1.279(13) . ?
cm165_2a	C17 F14 1.280(12) . ?
cm165_2a	C17 F15A 1.297(8) . ?
cm165_2a	C17 F14A 1.301(7) . ?
cm165_2a	C17 F13 1.312(14) . ?
cm165_2a	C17 F13A 1.328(7) . ?
cm165_2a	C18 F18 1.322(5) . ?
cm165_2a	C18 F16 1.327(6) . ?
cm165_2a	C18 F17 1.336(5) . ?
cm165_2a	loop_
cm165_2a	_geom_angle_atom_site_label_1
cm165_2a	_geom_angle_atom_site_label_2
cm165_2a	_geom_angle_atom_site_label_3
cm165_2a	_geom_angle
cm165_2a	_geom_angle_site_symmetry_1
cm165_2a	_geom_angle_site_symmetry_3
cm165_2a	_geom_angle_publ_flag
cm165_2a	C1 As1 Cl1 100.57(12) . . ?
cm165_2a	C10 As1 Cl1 92.04(11) . . ?
cm165_2a	C10 As1 C1 107.53(16) . . ?
cm165_2a	C6 C1 C2 116.6(4) . . ?
cm165_2a	C6 C1 As1 119.8(3) . . ?
cm165_2a	C2 C1 As1 123.3(3) . . ?
cm165_2a	C3 C2 C1 121.5(4) . . ?
cm165_2a	C3 C2 C7 115.8(4) . . ?
cm165_2a	C1 C2 C7 122.6(4) . . ?
cm165_2a	C4 C3 C2 120.0(4) . . ?
cm165_2a	C4 C3 H3A 120.0 . . ?
cm165_2a	C2 C3 H3A 120.0 . . ?
cm165_2a	C3 C4 C5 120.2(4) . . ?
cm165_2a	C3 C4 C8 119.9(4) . . ?
cm165_2a	C5 C4 C8 119.8(4) . . ?
cm165_2a	C4 C5 C6 119.9(4) . . ?
cm165_2a	C4 C5 H5A 120.0 . . ?
cm165_2a	C6 C5 H5A 120.0 . . ?
cm165_2a	C5 C6 C1 121.1(4) . . ?
cm165_2a	C5 C6 C9 113.4(3) . . ?
cm165_2a	C1 C6 C9 125.4(4) . . ?
cm165_2a	F2 C7 F1 106.4(4) . . ?
cm165_2a	F2 C7 F3 107.5(3) . . ?
cm165_2a	F1 C7 F3 105.7(4) . . ?
cm165_2a	F2 C7 C2 113.6(4) . . ?
cm165_2a	F1 C7 C2 111.7(4) . . ?
cm165_2a	F3 C7 C2 111.5(4) . . ?
cm165_2a	F4A C8 F4 128.6(9) . . ?
cm165_2a	F4A C8 F6A 120.8(17) . . ?
cm165_2a	F4 C8 F6A 36.3(11) . . ?
cm165_2a	F4A C8 F6 43.4(17) . . ?
cm165_2a	F4 C8 F6 110.1(7) . . ?
cm165_2a	F6A C8 F6 133.1(9) . . ?
cm165_2a	F4A C8 F5 60.0(18) . . ?
cm165_2a	F4 C8 F5 104.3(6) . . ?
cm165_2a	F6A C8 F5 72.1(13) . . ?
cm165_2a	F6 C8 F5 101.8(7) . . ?
cm165_2a	F4A C8 F5A 99.1(17) . . ?
cm165_2a	F4 C8 F5A 63.0(8) . . ?
cm165_2a	F6A C8 F5A 99.0(12) . . ?
cm165_2a	F6 C8 F5A 57.4(7) . . ?
cm165_2a	F5 C8 F5A 142.8(6) . . ?
cm165_2a	F4A C8 C4 115.2(8) . . ?
cm165_2a	F4 C8 C4 116.1(5) . . ?
cm165_2a	F6A C8 C4 111.7(9) . . ?
cm165_2a	F6 C8 C4 114.0(5) . . ?
cm165_2a	F5 C8 C4 109.0(4) . . ?
cm165_2a	F5A C8 C4 107.8(5) . . ?
cm165_2a	F8 C9 F9 107.7(3) . . ?
cm165_2a	F8 C9 F7 105.6(3) . . ?
cm165_2a	F9 C9 F7 105.5(3) . . ?
cm165_2a	F8 C9 C6 113.2(3) . . ?
cm165_2a	F9 C9 C6 112.9(3) . . ?
cm165_2a	F7 C9 C6 111.4(3) . . ?
cm165_2a	C15 C10 C11 117.0(3) . . ?
cm165_2a	C15 C10 As1 128.8(3) . . ?
cm165_2a	C11 C10 As1 113.7(3) . . ?
cm165_2a	C12 C11 C10 121.5(4) . . ?
cm165_2a	C12 C11 C16 115.4(4) . . ?
cm165_2a	C10 C11 C16 123.0(4) . . ?
cm165_2a	C11 C12 C13 120.2(4) . . ?
cm165_2a	C11 C12 H12A 119.9 . . ?
cm165_2a	C13 C12 H12A 119.9 . . ?
cm165_2a	C14 C13 C12 119.3(4) . . ?
cm165_2a	C14 C13 C17 120.9(4) . . ?
cm165_2a	C12 C13 C17 119.8(4) . . ?
cm165_2a	C13 C14 C15 121.2(4) . . ?
cm165_2a	C13 C14 H14A 119.4 . . ?
cm165_2a	C15 C14 H14A 119.4 . . ?
cm165_2a	C14 C15 C10 120.8(4) . . ?
cm165_2a	C14 C15 C18 112.2(4) . . ?
cm165_2a	C10 C15 C18 127.0(4) . . ?
cm165_2a	F10 C16 F12 106.9(3) . . ?
cm165_2a	F10 C16 F11 106.0(4) . . ?
cm165_2a	F12 C16 F11 105.9(3) . . ?
cm165_2a	F10 C16 C11 112.9(4) . . ?
cm165_2a	F12 C16 C11 111.8(3) . . ?
cm165_2a	F11 C16 C11 112.9(3) . . ?
cm165_2a	F15 C17 F14 112.1(18) . . ?
cm165_2a	F15 C17 F15A 123.6(11) . . ?
cm165_2a	F14 C17 F15A 70.7(15) . . ?
cm165_2a	F15 C17 F14A 23.8(15) . . ?
cm165_2a	F14 C17 F14A 128.7(13) . . ?
cm165_2a	F15A C17 F14A 109.2(8) . . ?
cm165_2a	F15 C17 F13 94.2(16) . . ?
cm165_2a	F14 C17 F13 104.8(17) . . ?
cm165_2a	F15A C17 F13 38.7(13) . . ?
cm165_2a	F14A C17 F13 73.8(14) . . ?
cm165_2a	F15 C17 F13A 80.3(14) . . ?
cm165_2a	F14 C17 F13A 39.7(16) . . ?
cm165_2a	F15A C17 F13A 107.9(7) . . ?
cm165_2a	F14A C17 F13A 103.1(6) . . ?
cm165_2a	F13 C17 F13A 132.2(13) . . ?
cm165_2a	F15 C17 C13 114.9(10) . . ?
cm165_2a	F14 C17 C13 115.9(9) . . ?
cm165_2a	F15A C17 C13 112.3(6) . . ?
cm165_2a	F14A C17 C13 111.1(6) . . ?
cm165_2a	F13 C17 C13 112.5(12) . . ?
cm165_2a	F13A C17 C13 112.8(5) . . ?
cm165_2a	F18 C18 F16 107.0(4) . . ?
cm165_2a	F18 C18 F17 105.3(4) . . ?
cm165_2a	F16 C18 F17 105.6(4) . . ?
cm165_2a	F18 C18 C15 116.5(4) . . ?
cm165_2a	F16 C18 C15 111.4(4) . . ?
cm165_2a	F17 C18 C15 110.4(4) . . ?
chuck39_2b	data_chuck39_2b
chuck39_2b	_audit_creation_method           'manual editing'
chuck39_2b	_chemical_name_systematic        ?
chuck39_2b	_chemical_name_common            ?
chuck39_2b	_chemical_melting_point          98-100
chuck39_2b	_chemical_formula_moiety         ?
chuck39_2b	_chemical_formula_sum            'C18 H4 As Cl F18'
chuck39_2b	_chemical_formula_weight         672.58
chuck39_2b	_symmetry_cell_setting           monoclinic
chuck39_2b	_symmetry_space_group_name_H-M   'P 21/a'
chuck39_2b	_cell_length_a                   8.705(9)
chuck39_2b	_cell_length_b                   30.38(1)
chuck39_2b	_cell_length_c                   8.167(4)
chuck39_2b	_cell_angle_alpha                90.00
chuck39_2b	_cell_angle_beta                 91.53(6)
chuck39_2b	_cell_angle_gamma                90.00
chuck39_2b	_cell_volume                     2159(2)
chuck39_2b	_cell_formula_units_Z            4
chuck39_2b	_cell_measurement_temperature    296(1)
chuck39_2b	_cell_measurement_reflns_used    20
chuck39_2b	_cell_measurement_theta_min      3.2
chuck39_2b	_cell_measurement_theta_max      10.4
chuck39_2b	_exptl_crystal_description       prism
chuck39_2b	_exptl_crystal_colour            colourless
chuck39_2b	_exptl_crystal_size_max          0.40
chuck39_2b	_exptl_crystal_size_mid          0.30
chuck39_2b	_exptl_crystal_size_min          0.20
chuck39_2b	_exptl_crystal_density_meas      ?
chuck39_2b	_exptl_crystal_density_diffrn    2.069
chuck39_2b	_exptl_crystal_density_method    'not measured'
chuck39_2b	_exptl_crystal_F_000             1296
chuck39_2b	_exptl_absorpt_coefficient_mu    1.859
chuck39_2b	_exptl_absorpt_correction_type   psi-scan
chuck39_2b	_exptl_absorpt_correction_T_min  0.615
chuck39_2b	_exptl_absorpt_correction_T_max  1.000
chuck39_2b	_exptl_absorpt_process_details   ?
chuck39_2b	_exptl_special_details
chuck39_2b	; 
chuck39_2b	 ? 
chuck39_2b	;
chuck39_2b	_diffrn_ambient_temperature      296(1)
chuck39_2b	_diffrn_radiation_wavelength     0.71073
chuck39_2b	_diffrn_radiation_type           MoK\a
chuck39_2b	_diffrn_radiation_source         'rotating anode (54 kV, 170 mA)'
chuck39_2b	_diffrn_radiation_monochromator  graphite
chuck39_2b	_diffrn_measurement_device_type  'Rigaku AFC5R'
chuck39_2b	_diffrn_measurement_method       '\w-2\q scans'
chuck39_2b	_diffrn_standards_number         3
chuck39_2b	_diffrn_standards_interval_count 50
chuck39_2b	_diffrn_standards_interval_time  ?
chuck39_2b	_diffrn_standards_decay_%        2.6
chuck39_2b	_diffrn_reflns_number            4082
chuck39_2b	_diffrn_reflns_av_R_equivalents  0.109
chuck39_2b	_diffrn_reflns_av_sigmaI/netI    ?
chuck39_2b	_diffrn_reflns_limit_h_min       -8
chuck39_2b	_diffrn_reflns_limit_h_max       8
chuck39_2b	_diffrn_reflns_limit_k_min       0
chuck39_2b	_diffrn_reflns_limit_k_max       34
chuck39_2b	_diffrn_reflns_limit_l_min       0
chuck39_2b	_diffrn_reflns_limit_l_max       8
chuck39_2b	_diffrn_reflns_theta_min         ?
chuck39_2b	_diffrn_reflns_theta_max         25.1
chuck39_2b	_reflns_number_total             3825
chuck39_2b	_reflns_number_gt                803
chuck39_2b	_reflns_threshold_expression     I>3sigma(I)
chuck39_2b	_computing_data_collection       'Rigaku AFC5R'
chuck39_2b	_computing_cell_refinement       'Rigaku AFC5R'
chuck39_2b	_computing_data_reduction        'Rigaku AFC5R'
chuck39_2b	_computing_structure_solution    DIRDIF94
chuck39_2b	_computing_structure_refinement  teXsan
chuck39_2b	_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994) and teXsan'
chuck39_2b	_computing_publication_material  ?
chuck39_2b	_refine_special_details
chuck39_2b	; 
chuck39_2b	 ?
chuck39_2b	;
chuck39_2b	_refine_ls_structure_factor_coef F
chuck39_2b	_refine_ls_matrix_type           full
chuck39_2b	_refine_ls_weighting_scheme      unit
chuck39_2b	_refine_ls_weighting_details     ?
chuck39_2b	_atom_sites_solution_primary     direct
chuck39_2b	_atom_sites_solution_secondary   difmap
chuck39_2b	_atom_sites_solution_hydrogens   geom
chuck39_2b	_refine_ls_hydrogen_treatment    noref
chuck39_2b	_refine_ls_extinction_method     secondary
chuck39_2b	_refine_ls_extinction_coef       1.48764e-007
chuck39_2b	_refine_ls_number_reflns         803
chuck39_2b	_refine_ls_number_parameters     206
chuck39_2b	_refine_ls_number_restraints     ?
chuck39_2b	_refine_ls_R_factor_all          ?
chuck39_2b	_refine_ls_R_factor_gt           0.067
chuck39_2b	_refine_ls_wR_factor_ref         0.073
chuck39_2b	_refine_ls_wR_factor_gt          0.073
chuck39_2b	_refine_ls_goodness_of_fit_ref   1.73
chuck39_2b	_refine_ls_restrained_S_all      ?
chuck39_2b	_refine_ls_shift/su_max          0.09
chuck39_2b	_refine_ls_shift/su_mean         ?
chuck39_2b	_geom_special_details
chuck39_2b	; 
chuck39_2b	 ?
chuck39_2b	;
chuck39_2b	_refine_diff_density_max         0.53
chuck39_2b	_refine_diff_density_min         -0.40
chuck39_2b	_refine_diff_density_rms         ?
chuck39_2b	loop_
chuck39_2b	_atom_type_symbol
chuck39_2b	_atom_type_description
chuck39_2b	_atom_type_scat_dispersion_real
chuck39_2b	_atom_type_scat_dispersion_imag
chuck39_2b	_atom_type_scat_source
chuck39_2b	C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck39_2b	H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck39_2b	F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck39_2b	Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck39_2b	As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck39_2b	loop_
chuck39_2b	_symmetry_equiv_pos_as_xyz
chuck39_2b	'x, y, z'
chuck39_2b	'-x+1/2, y+1/2, -z'
chuck39_2b	'-x, -y, -z'
chuck39_2b	'x-1/2, -y-1/2, z'
chuck39_2b	loop_
chuck39_2b	_atom_site_label
chuck39_2b	_atom_site_type_symbol
chuck39_2b	_atom_site_fract_x
chuck39_2b	_atom_site_fract_y
chuck39_2b	_atom_site_fract_z
chuck39_2b	_atom_site_B_iso_or_equiv
chuck39_2b	_atom_site_adp_type
chuck39_2b	_atom_site_occupancy
chuck39_2b	_atom_site_symmetry_multiplicity
chuck39_2b	_atom_site_calc_flag
chuck39_2b	_atom_site_refinement_flags
chuck39_2b	_atom_site_disorder_assembly
chuck39_2b	_atom_site_disorder_group
chuck39_2b	As1 As 0.5360(3) -0.12252(7) 0.2545(3) 4.37(6) Uani 1 1 d . . .
chuck39_2b	Cl1 Cl 0.6994(8) -0.1019(2) 0.0718(9) 7.5(2) Uani 1 1 d . . .
chuck39_2b	F1 F 0.483(2) -0.2046(4) 0.447(2) 6.6(3) Biso 1 1 d . . .
chuck39_2b	F2 F 0.705(2) -0.2073(4) 0.328(2) 7.0(4) Biso 1 1 d . . .
chuck39_2b	F3 F 0.570(2) -0.2652(5) 0.354(2) 7.7(4) Biso 1 1 d . . .
chuck39_2b	F4 F 0.322(4) -0.2733(9) -0.346(4) 7.0(7) Biso 0.50 1 d P A 1
chuck39_2b	F5 F 0.237(3) -0.3070(8) -0.147(3) 5.3(6) Biso 0.50 1 d P A 1
chuck39_2b	F6 F 0.468(4) -0.310(1) -0.207(4) 8.1(8) Biso 0.50 1 d P A 1
chuck39_2b	F7 F 0.225(2) -0.1249(5) -0.224(2) 10.7(6) Uani 1 1 d . . .
chuck39_2b	F8 F 0.451(2) -0.1191(4) -0.273(2) 8.4(4) Uani 1 1 d . . .
chuck39_2b	F9 F 0.366(2) -0.0870(4) -0.063(2) 9.4(5) Uani 1 1 d . . .
chuck39_2b	F10 F 0.028(1) -0.1219(4) 0.371(2) 6.7(3) Biso 1 1 d . . .
chuck39_2b	F11 F 0.119(1) -0.1431(4) 0.149(2) 6.3(3) Biso 1 1 d . . .
chuck39_2b	F12 F 0.249(1) -0.1507(4) 0.371(2) 6.6(3) Biso 1 1 d . . .
chuck39_2b	F13 F -0.051(2) 0.0305(4) 0.346(2) 8.3(5) Uani 1 1 d . . .
chuck39_2b	F14 F 0.130(2) 0.0733(4) 0.294(2) 9.8(6) Uani 1 1 d . . .
chuck39_2b	F15 F 0.004(2) 0.0444(5) 0.098(2) 8.8(5) Uani 1 1 d . . .
chuck39_2b	F16 F 0.667(1) -0.0064(4) 0.140(1) 4.9(3) Biso 1 1 d . . .
chuck39_2b	F17 F 0.610(1) 0.0237(4) 0.359(1) 5.1(3) Biso 1 1 d . . .
chuck39_2b	F18 F 0.685(1) -0.0434(4) 0.357(1) 5.2(3) Biso 1 1 d . . .
chuck39_2b	F19 F 0.217(4) -0.2795(9) -0.276(4) 7.9(8) Biso 0.50 1 d P A 2
chuck39_2b	F20 F 0.454(3) -0.2864(8) -0.314(3) 5.0(6) Biso 0.50 1 d P A 2
chuck39_2b	F21 F 0.371(3) -0.3231(8) -0.115(3) 6.0(6) Biso 0.50 1 d P A 2
chuck39_2b	C1 C 0.450(2) -0.1696(5) 0.098(2) 2.6(4) Biso 1 1 d . . .
chuck39_2b	C2 C 0.389(3) -0.1664(7) -0.061(3) 4.8(5) Biso 1 1 d . . .
chuck39_2b	C3 C 0.353(2) -0.2022(7) -0.162(3) 4.1(5) Biso 1 1 d . . .
chuck39_2b	C4 C 0.380(2) -0.2439(7) -0.096(3) 4.4(5) Biso 1 1 d . A .
chuck39_2b	C5 C 0.451(2) -0.2495(7) 0.059(3) 4.1(5) Biso 1 1 d . . .
chuck39_2b	C6 C 0.482(2) -0.2137(6) 0.158(3) 3.8(5) Biso 1 1 d . . .
chuck39_2b	C7 C 0.363(4) -0.123(1) -0.154(4) 7.1(7) Biso 1 1 d . . .
chuck39_2b	C8 C 0.347(3) -0.2836(7) -0.201(3) 4.1(5) Biso 1 1 d . . .
chuck39_2b	C9 C 0.555(3) -0.2209(8) 0.323(3) 5.5(6) Biso 1 1 d . . .
chuck39_2b	C10 C 0.382(2) -0.0729(6) 0.255(2) 3.9(5) Biso 1 1 d . . .
chuck39_2b	C11 C 0.223(2) -0.0787(6) 0.261(2) 3.2(4) Biso 1 1 d . . .
chuck39_2b	C12 C 0.125(2) -0.0437(6) 0.261(2) 3.0(4) Biso 1 1 d . . .
chuck39_2b	C13 C 0.175(2) -0.0024(5) 0.252(2) 2.1(3) Biso 1 1 d . . .
chuck39_2b	C14 C 0.327(2) 0.0063(6) 0.251(2) 3.1(4) Biso 1 1 d . . .
chuck39_2b	C15 C 0.437(2) -0.0289(6) 0.258(2) 3.2(4) Biso 1 1 d . . .
chuck39_2b	C16 C 0.157(3) -0.1245(8) 0.287(3) 4.8(5) Biso 1 1 d . . .
chuck39_2b	C17 C 0.068(3) 0.0361(8) 0.250(4) 4.9(6) Biso 1 1 d . . .
chuck39_2b	C18 C 0.597(2) -0.0140(5) 0.274(2) 1.9(4) Biso 1 1 d . . .
chuck39_2b	H1 H 0.3121 -0.1984 -0.2698 4.9584 Biso 1 1 c R . .
chuck39_2b	H2 H 0.4777 -0.2782 0.0958 4.9414 Biso 1 1 c R . .
chuck39_2b	H3 H 0.0182 -0.0490 0.2689 3.6062 Biso 1 1 c R . .
chuck39_2b	H4 H 0.3621 0.0359 0.2453 3.7401 Biso 1 1 c R . .
chuck39_2b	loop_
chuck39_2b	_atom_site_aniso_label
chuck39_2b	_atom_site_aniso_U_11
chuck39_2b	_atom_site_aniso_U_22
chuck39_2b	_atom_site_aniso_U_33
chuck39_2b	_atom_site_aniso_U_23
chuck39_2b	_atom_site_aniso_U_13
chuck39_2b	_atom_site_aniso_U_12
chuck39_2b	As1 0.072(2) 0.038(1) 0.056(1) -0.009(2) -0.005(1) 0.009(2)
chuck39_2b	Cl1 0.084(5) 0.070(4) 0.136(7) -0.025(4) 0.051(5) -0.006(4)
chuck39_2b	F7 0.15(2) 0.09(1) 0.16(2) 0.04(1) -0.07(1) 0.02(1)
chuck39_2b	F8 0.18(2) 0.077(9) 0.062(9) 0.01(1) 0.04(1) 0.01(1)
chuck39_2b	F9 0.28(2) 0.038(8) 0.044(9) 0.004(7) 0.03(1) 0.04(1)
chuck39_2b	F13 0.11(1) 0.09(1) 0.12(1) 0.01(1) 0.01(1) 0.042(9)
chuck39_2b	F14 0.12(1) 0.05(1) 0.20(2) -0.05(1) -0.04(1) 0.031(9)
chuck39_2b	F15 0.13(1) 0.12(1) 0.08(1) 0.016(9) -0.01(1) 0.07(1)
chuck39_2b	loop_
chuck39_2b	_geom_bond_atom_site_label_1
chuck39_2b	_geom_bond_atom_site_label_2
chuck39_2b	_geom_bond_distance
chuck39_2b	_geom_bond_site_symmetry_2
chuck39_2b	_geom_bond_publ_flag
chuck39_2b	As1 Cl1 2.181(9) . ?
chuck39_2b	As1 C1 2.05(2) . ?
chuck39_2b	As1 C10 2.02(3) . ?
chuck39_2b	F1 C9 1.30(3) . ?
chuck39_2b	F2 C9 1.37(3) . ?
chuck39_2b	F3 C9 1.38(3) . ?
chuck39_2b	F4 C8 1.24(4) . ?
chuck39_2b	F5 C8 1.28(4) . ?
chuck39_2b	F6 C8 1.32(5) . ?
chuck39_2b	F7 C7 1.32(4) . ?
chuck39_2b	F8 C7 1.26(4) . ?
chuck39_2b	F9 C7 1.32(4) . ?
chuck39_2b	F10 C16 1.33(3) . ?
chuck39_2b	F11 C16 1.30(3) . ?
chuck39_2b	F12 C16 1.31(3) . ?
chuck39_2b	F13 C17 1.32(3) . ?
chuck39_2b	F14 C17 1.30(3) . ?
chuck39_2b	F15 C17 1.37(3) . ?
chuck39_2b	F16 C18 1.29(2) . ?
chuck39_2b	F17 C18 1.34(2) . ?
chuck39_2b	F18 C18 1.35(2) . ?
chuck39_2b	F19 C8 1.27(4) . ?
chuck39_2b	F20 C8 1.33(4) . ?
chuck39_2b	F21 C8 1.41(4) . ?
chuck39_2b	C1 C2 1.39(3) . ?
chuck39_2b	C1 C6 1.45(3) . ?
chuck39_2b	C2 C3 1.39(3) . ?
chuck39_2b	C2 C7 1.54(4) . ?
chuck39_2b	C3 C4 1.40(3) . ?
chuck39_2b	C4 C5 1.40(3) . ?
chuck39_2b	C4 C8 1.51(3) . ?
chuck39_2b	C5 C6 1.38(3) . ?
chuck39_2b	C6 C9 1.49(4) . ?
chuck39_2b	C10 C11 1.40(3) . ?
chuck39_2b	C10 C15 1.42(3) . ?
chuck39_2b	C11 C12 1.36(3) . ?
chuck39_2b	C11 C16 1.52(3) . ?
chuck39_2b	C12 C13 1.33(3) . ?
chuck39_2b	C13 C14 1.36(3) . ?
chuck39_2b	C13 C17 1.49(4) . ?
chuck39_2b	C14 C15 1.43(3) . ?
chuck39_2b	C15 C18 1.47(3) . ?
chuck39_2b	C3 H1 0.98 . ?
chuck39_2b	C5 H2 1.00 . ?
chuck39_2b	C12 H3 1.01 . ?
chuck39_2b	C14 H4 0.99 . ?
chuck39_2b	loop_
chuck39_2b	_geom_angle_atom_site_label_1
chuck39_2b	_geom_angle_atom_site_label_2
chuck39_2b	_geom_angle_atom_site_label_3
chuck39_2b	_geom_angle
chuck39_2b	_geom_angle_site_symmetry_1
chuck39_2b	_geom_angle_site_symmetry_3
chuck39_2b	_geom_angle_publ_flag
chuck39_2b	C1 As1 Cl1 90.4(7) . . ?
chuck39_2b	C10 As1 Cl1 103.4(8) . . ?
chuck39_2b	C10 As1 C1 107(1) . . ?
chuck39_2b	C2 C1 As1 131(2) . . ?
chuck39_2b	C6 C1 As1 112(2) . . ?
chuck39_2b	C2 C1 C6 116(2) . . ?
chuck39_2b	C1 C2 C3 125(3) . . ?
chuck39_2b	C1 C2 C7 125(3) . . ?
chuck39_2b	C3 C2 C7 111(3) . . ?
chuck39_2b	C4 C3 C2 117(3) . . ?
chuck39_2b	C3 C4 C5 122(3) . . ?
chuck39_2b	C3 C4 C8 118(3) . . ?
chuck39_2b	C5 C4 C8 120(3) . . ?
chuck39_2b	C6 C5 C4 121(3) . . ?
chuck39_2b	C5 C6 C1 120(3) . . ?
chuck39_2b	C1 C6 C9 121(3) . . ?
chuck39_2b	C5 C6 C9 119(3) . . ?
chuck39_2b	F8 C7 F7 104(3) . . ?
chuck39_2b	F7 C7 F9 107(4) . . ?
chuck39_2b	F7 C7 C2 107(3) . . ?
chuck39_2b	F8 C7 F9 111(3) . . ?
chuck39_2b	F8 C7 C2 112(3) . . ?
chuck39_2b	F9 C7 C2 116(3) . . ?
chuck39_2b	F4 C8 F5 111(4) . . ?
chuck39_2b	F4 C8 F6 104(4) . . ?
chuck39_2b	F4 C8 F19 52(3) . . ?
chuck39_2b	F4 C8 F20 57(3) . . ?
chuck39_2b	F4 C8 F21 136(3) . . ?
chuck39_2b	F4 C8 C4 112(3) . . ?
chuck39_2b	F5 C8 F6 106(3) . . ?
chuck39_2b	F19 C8 F5 64(3) . . ?
chuck39_2b	F5 C8 F20 139(3) . . ?
chuck39_2b	F5 C8 F21 57(2) . . ?
chuck39_2b	F5 C8 C4 112(3) . . ?
chuck39_2b	F19 C8 F6 138(4) . . ?
chuck39_2b	F6 C8 F20 51(2) . . ?
chuck39_2b	F6 C8 F21 52(2) . . ?
chuck39_2b	F6 C8 C4 111(3) . . ?
chuck39_2b	F19 C8 F20 108(3) . . ?
chuck39_2b	F19 C8 F21 116(3) . . ?
chuck39_2b	F19 C8 C4 110(3) . . ?
chuck39_2b	F20 C8 F21 101(3) . . ?
chuck39_2b	F20 C8 C4 109(3) . . ?
chuck39_2b	F21 C8 C4 112(3) . . ?
chuck39_2b	F1 C9 F2 110(3) . . ?
chuck39_2b	F1 C9 F3 106(3) . . ?
chuck39_2b	F1 C9 C6 117(3) . . ?
chuck39_2b	F2 C9 F3 101(3) . . ?
chuck39_2b	F2 C9 C6 111(3) . . ?
chuck39_2b	F3 C9 C6 110(3) . . ?
chuck39_2b	C11 C10 As1 124(2) . . ?
chuck39_2b	C15 C10 As1 119(2) . . ?
chuck39_2b	C11 C10 C15 117(2) . . ?
chuck39_2b	C12 C11 C10 121(2) . . ?
chuck39_2b	C10 C11 C16 120(2) . . ?
chuck39_2b	C12 C11 C16 118(2) . . ?
chuck39_2b	C13 C12 C11 122(2) . . ?
chuck39_2b	C12 C13 C14 120(2) . . ?
chuck39_2b	C12 C13 C17 123(2) . . ?
chuck39_2b	C14 C13 C17 117(2) . . ?
chuck39_2b	C13 C14 C15 120(2) . . ?
chuck39_2b	C10 C15 C14 119(2) . . ?
chuck39_2b	C10 C15 C18 128(2) . . ?
chuck39_2b	C14 C15 C18 114(2) . . ?
chuck39_2b	F11 C16 F10 106(2) . . ?
chuck39_2b	F12 C16 F10 106(2) . . ?
chuck39_2b	F10 C16 C11 110(3) . . ?
chuck39_2b	F11 C16 F12 109(3) . . ?
chuck39_2b	F11 C16 C11 111(2) . . ?
chuck39_2b	F12 C16 C11 114(2) . . ?
chuck39_2b	F14 C17 F13 106(3) . . ?
chuck39_2b	F13 C17 F15 105(3) . . ?
chuck39_2b	F13 C17 C13 113(3) . . ?
chuck39_2b	F14 C17 F15 104(3) . . ?
chuck39_2b	F14 C17 C13 115(3) . . ?
chuck39_2b	F15 C17 C13 113(3) . . ?
chuck39_2b	F16 C18 F17 104(2) . . ?
chuck39_2b	F16 C18 F18 106(2) . . ?
chuck39_2b	F16 C18 C15 117(2) . . ?
chuck39_2b	F17 C18 F18 105(2) . . ?
chuck39_2b	F17 C18 C15 112(2) . . ?
chuck39_2b	F18 C18 C15 111(2) . . ?
chuck39_2b	C2 C3 H1 121.4 . . ?
chuck39_2b	C4 C3 H1 122.0 . . ?
chuck39_2b	C4 C5 H2 120.1 . . ?
chuck39_2b	C6 C5 H2 119.2 . . ?
chuck39_2b	C11 C12 H3 119.8 . . ?
chuck39_2b	C13 C12 H3 117.9 . . ?
chuck39_2b	C13 C14 H4 118.8 . . ?
chuck39_2b	C15 C14 H4 120.7 . . ?
chuck26_3	data_chuck26_3
chuck26_3	_audit_creation_method           'manual editing'
chuck26_3	_chemical_name_systematic        ?
chuck26_3	_chemical_name_common            ?
chuck26_3	_chemical_melting_point          112-113
chuck26_3	_chemical_formula_moiety         ?
chuck26_3	_chemical_formula_sum            'C18 H4 Cl F18 Sb'
chuck26_3	_chemical_formula_weight         719.41
chuck26_3	_symmetry_cell_setting           monoclinic
chuck26_3	_symmetry_space_group_name_H-M   'P 21/c'
chuck26_3	_cell_length_a                   8.296(2)
chuck26_3	_cell_length_b                   30.430(7)
chuck26_3	_cell_length_c                   8.779(3)
chuck26_3	_cell_angle_alpha                90.00
chuck26_3	_cell_angle_beta                 94.030(3)
chuck26_3	_cell_angle_gamma                90.00
chuck26_3	_cell_volume                     2211(1)
chuck26_3	_cell_formula_units_Z            4
chuck26_3	_cell_measurement_temperature    296(1)
chuck26_3	_cell_measurement_reflns_used    25
chuck26_3	_cell_measurement_theta_min      23.2
chuck26_3	_cell_measurement_theta_max      27.8
chuck26_3	_exptl_crystal_description       needle
chuck26_3	_exptl_crystal_colour            'light yellow'
chuck26_3	_exptl_crystal_size_max          0.30
chuck26_3	_exptl_crystal_size_mid          0.13
chuck26_3	_exptl_crystal_size_min          0.11
chuck26_3	_exptl_crystal_density_meas      ?
chuck26_3	_exptl_crystal_density_diffrn    2.161
chuck26_3	_exptl_crystal_density_method    'not measured'
chuck26_3	_exptl_crystal_F_000             1368
chuck26_3	_exptl_absorpt_coefficient_mu    12.518
chuck26_3	_exptl_absorpt_correction_type   psi-scan
chuck26_3	_exptl_absorpt_correction_T_min  0.640
chuck26_3	_exptl_absorpt_correction_T_max  1.000
chuck26_3	_exptl_absorpt_process_details   ?
chuck26_3	_exptl_special_details
chuck26_3	; 
chuck26_3	 ? 
chuck26_3	;
chuck26_3	_diffrn_ambient_temperature      296(1)
chuck26_3	_diffrn_radiation_wavelength     1.54178
chuck26_3	_diffrn_radiation_type           CuK\a
chuck26_3	_diffrn_radiation_source         'rotating anode (50 kV, 160 mA)'
chuck26_3	_diffrn_radiation_monochromator  graphite
chuck26_3	_diffrn_measurement_device_type  'Rigaku AFC5R'
chuck26_3	_diffrn_measurement_method       '\w-2\q scans'
chuck26_3	_diffrn_standards_number         ?
chuck26_3	_diffrn_standards_interval_count ?
chuck26_3	_diffrn_standards_interval_time  ?
chuck26_3	_diffrn_standards_decay_%        3.6
chuck26_3	_diffrn_reflns_number            3953
chuck26_3	_diffrn_reflns_av_R_equivalents  0.0740
chuck26_3	_diffrn_reflns_av_sigmaI/netI    ?
chuck26_3	_diffrn_reflns_limit_h_min       0
chuck26_3	_diffrn_reflns_limit_h_max       9
chuck26_3	_diffrn_reflns_limit_k_min       0
chuck26_3	_diffrn_reflns_limit_k_max       32
chuck26_3	_diffrn_reflns_limit_l_min       -10
chuck26_3	_diffrn_reflns_limit_l_max       10
chuck26_3	_diffrn_reflns_theta_min         2.90
chuck26_3	_diffrn_reflns_theta_max         63.45
chuck26_3	_reflns_number_total             3874
chuck26_3	_reflns_number_gt                1022
chuck26_3	_reflns_threshold_expression     I>3sigma(I)
chuck26_3	_computing_data_collection       'Rigaku AFC5R'
chuck26_3	_computing_cell_refinement       'Rigaku AFC5R'
chuck26_3	_computing_data_reduction        'Rigaku AFC5R'
chuck26_3	_computing_structure_solution    DIRDIF94
chuck26_3	_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
chuck26_3	_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994) and teXsan'
chuck26_3	_computing_publication_material  ?
chuck26_3	_refine_special_details
chuck26_3	; 
chuck26_3	 ?
chuck26_3	;
chuck26_3	_refine_ls_structure_factor_coef Fsqd
chuck26_3	_refine_ls_matrix_type           full
chuck26_3	_refine_ls_weighting_scheme      calc
chuck26_3	_refine_ls_weighting_details
chuck26_3	'calc w=1/[\s^2^(Fo^2^)+(0.0887P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
chuck26_3	_atom_sites_solution_primary     direct
chuck26_3	_atom_sites_solution_secondary   difmap
chuck26_3	_atom_sites_solution_hydrogens   geom
chuck26_3	_refine_ls_hydrogen_treatment    noref
chuck26_3	_refine_ls_extinction_method     secondary
chuck26_3	_refine_ls_extinction_coef       1.04800e-008
chuck26_3	_refine_ls_number_reflns         1022
chuck26_3	_refine_ls_number_parameters     238
chuck26_3	_refine_ls_number_restraints     ?
chuck26_3	_refine_ls_R_factor_all          ?
chuck26_3	_refine_ls_R_factor_gt           0.0550
chuck26_3	_refine_ls_wR_factor_ref         0.220
chuck26_3	_refine_ls_wR_factor_gt          ?
chuck26_3	_refine_ls_goodness_of_fit_ref   1.00
chuck26_3	_refine_ls_restrained_S_all      ?
chuck26_3	_refine_ls_shift/su_max          .01
chuck26_3	_refine_ls_shift/su_mean         ?
chuck26_3	_geom_special_details
chuck26_3	; 
chuck26_3	 ?
chuck26_3	;
chuck26_3	_refine_diff_density_max         0.630
chuck26_3	_refine_diff_density_min         -0.950
chuck26_3	_refine_diff_density_rms         ?
chuck26_3	loop_
chuck26_3	_atom_type_symbol
chuck26_3	_atom_type_description
chuck26_3	_atom_type_scat_dispersion_real
chuck26_3	_atom_type_scat_dispersion_imag
chuck26_3	_atom_type_scat_source
chuck26_3	C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck26_3	H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck26_3	F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck26_3	Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck26_3	Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck26_3	loop_
chuck26_3	_symmetry_equiv_pos_as_xyz
chuck26_3	'x, y, z'
chuck26_3	'-x, y+1/2, -z+1/2'
chuck26_3	'-x, -y, -z'
chuck26_3	'x, -y-1/2, z-1/2'
chuck26_3	loop_
chuck26_3	_atom_site_label
chuck26_3	_atom_site_type_symbol
chuck26_3	_atom_site_fract_x
chuck26_3	_atom_site_fract_y
chuck26_3	_atom_site_fract_z
chuck26_3	_atom_site_U_iso_or_equiv
chuck26_3	_atom_site_adp_type
chuck26_3	_atom_site_occupancy
chuck26_3	_atom_site_symmetry_multiplicity
chuck26_3	_atom_site_calc_flag
chuck26_3	_atom_site_refinement_flags
chuck26_3	_atom_site_disorder_assembly
chuck26_3	_atom_site_disorder_group
chuck26_3	Sb1 Sb 1.2808(3) 0.1222(1) 0.0566(3) 0.064(1) Uani 1 1 d . . .
chuck26_3	Cl1 Cl 1.0832(15) 0.1007(4) 0.2220(14) 0.101(4) Uani 1 1 d . . .
chuck26_3	F1 F 1.3608(19) 0.0371(5) 0.1880(2) 0.069(6) Uani 1 1 d . . .
chuck26_3	F2 F 1.1290(14) 0.0035(6) 0.1530(2) 0.074(7) Uani 1 1 d . . .
chuck26_3	F3 F 1.3520(2) -0.0296(5) 0.1110(2) 0.080(7) Uani 1 1 d . . .
chuck26_3	F4 F 1.1010(2) -0.0448(10) -0.5110(3) 0.108(12) Uani 0.50 1 d P A 1
chuck26_3	F5 F 1.2930(4) -0.0775(8) -0.3770(3) 0.119(12) Uani 0.50 1 d P A 1
chuck26_3	F6 F 1.3490(3) -0.0380(8) -0.5540(3) 0.093(10) Uani 0.50 1 d P A 1
chuck26_3	F4A F 1.4000(2) -0.0497(10) -0.4750(3) 0.100(7) Uani 0.50 1 d P A 2
chuck26_3	F5A F 1.1690(3) -0.0251(8) -0.5740(3) 0.100(6) Uani 0.50 1 d P A 2
chuck26_3	F6A F 1.1720(3) -0.0741(8) -0.3940(3) 0.100(5) Uani 0.50 1 d P A 2
chuck26_3	F7 F 1.3810(2) 0.1472(7) -0.2314(18) 0.083(7) Uani 1 1 d . . .
chuck26_3	F8 F 1.1551(17) 0.1403(8) -0.3720(2) 0.106(9) Uani 1 1 d . . .
chuck26_3	F9 F 1.3810(2) 0.1212(8) -0.4594(19) 0.103(8) Uani 1 1 d . . .
chuck26_3	F10 F 1.3470(3) 0.2132(7) 0.2090(2) 0.102(9) Uani 1 1 d . . .
chuck26_3	F11 F 1.4490(2) 0.2092(6) -0.0080(2) 0.087(8) Uani 1 1 d . . .
chuck26_3	F12 F 1.3620(3) 0.2713(5) 0.0690(3) 0.115(5) Uani 1 1 d . . .
chuck26_3	F13 F 0.7080(6) 0.2957(14) -0.0260(4) 0.101(17) Uani 0.50 1 d P B 3
chuck26_3	F14 F 0.7020(5) 0.2771(12) -0.2640(5) 0.103(17) Uani 0.50 1 d P B 3
chuck26_3	F15 F 0.8880(3) 0.3226(10) -0.1740(7) 0.150(3) Uani 0.50 1 d P B 3
chuck26_3	F13A F 0.8550(6) 0.3226(12) -0.0490(6) 0.130(3) Uani 0.50 1 d P B 4
chuck26_3	F14A F 0.6500(4) 0.2806(11) -0.1150(6) 0.109(1) Uani 0.50 1 d P B 4
chuck26_3	F15A F 0.8180(6) 0.3008(14) -0.2830(4) 0.086(1) Uani 0.50 1 d P B 4
chuck26_3	F16 F 0.9563(19) 0.0914(7) -0.1180(2) 0.088(13) Uani 1 1 d . . .
chuck26_3	F17 F 0.7850(3) 0.1260(8) -0.2680(2) 0.098(9) Uani 1 1 d . . .
chuck26_3	F18 F 0.7450(2) 0.1211(7) -0.0300(2) 0.127(10) Uani 1 1 d . . .
chuck26_3	C1 C 1.2690(4) 0.0673(10) -0.1100(3) 0.038(8) Uiso 1 1 d . . .
chuck26_3	C2 C 1.2630(4) 0.0238(11) -0.0710(4) 0.048(9) Uiso 1 1 d . . .
chuck26_3	C3 C 1.2540(4) -0.0099(11) -0.1740(4) 0.051(10) Uiso 1 1 d . . .
chuck26_3	C4 C 1.2550(4) -0.0026(13) -0.3270(4) 0.056(10) Uiso 1 1 d . A .
chuck26_3	C5 C 1.2710(4) 0.0429(13) -0.3720(4) 0.059(10) Uiso 1 1 d . . .
chuck26_3	C6 C 1.2820(4) 0.0757(11) -0.2670(4) 0.048(9) Uiso 1 1 d . . .
chuck26_3	C7 C 1.2751(16) 0.0087(5) 0.0973(12) 0.063(11) Uiso 1 1 d . . .
chuck26_3	C8 C 1.2490(2) -0.0390(6) -0.4430(2) 0.073(13) Uiso 1 1 d . . .
chuck26_3	C9 C 1.2974(18) 0.1225(4) -0.3332(16) 0.075(11) Uiso 1 1 d . . .
chuck26_3	C10 C 1.1090(4) 0.1742(12) -0.0370(4) 0.055(10) Uiso 1 1 d . . .
chuck26_3	C11 C 0.9480(4) 0.1699(12) -0.1000(4) 0.055(10) Uiso 1 1 d . . .
chuck26_3	C12 C 0.8580(4) 0.2071(13) -0.1330(4) 0.059(10) Uiso 1 1 d . . .
chuck26_3	C13 C 0.9110(4) 0.2488(13) -0.1060(4) 0.056(11) Uiso 1 1 d . B .
chuck26_3	C14 C 1.0710(5) 0.2536(13) -0.0460(4) 0.062(11) Uiso 1 1 d . . .
chuck26_3	C15 C 1.1620(4) 0.2175(12) -0.0090(4) 0.053(10) Uiso 1 1 d . . .
chuck26_3	C16 C 1.3293(14) 0.2281(6) 0.0667(19) 0.066(12) Uiso 1 1 d . . .
chuck26_3	C17 C 0.8030(3) 0.2881(7) -0.1400(3) 0.076(13) Uiso 1 1 d . . .
chuck26_3	C18 C 0.8604(18) 0.1256(5) -0.1280(2) 0.088(13) Uiso 1 1 d . . .
chuck26_3	H1 H 1.2455 -0.0395 -0.1403 0.059 Uiso 1 1 c R . .
chuck26_3	H2 H 1.2763 0.0488 -0.4738 0.074 Uiso 1 1 c R . .
chuck26_3	H3 H 0.7545 0.2032 -0.1826 0.065 Uiso 1 1 c R . .
chuck26_3	H4 H 1.1167 0.2812 -0.0299 0.075 Uiso 1 1 c R . .
chuck26_3	loop_
chuck26_3	_atom_site_aniso_label
chuck26_3	_atom_site_aniso_U_11
chuck26_3	_atom_site_aniso_U_22
chuck26_3	_atom_site_aniso_U_33
chuck26_3	_atom_site_aniso_U_23
chuck26_3	_atom_site_aniso_U_13
chuck26_3	_atom_site_aniso_U_12
chuck26_3	Sb1 0.056(1) 0.072(2) 0.065(2) -0.006(2) 0.004(1) 0.004(2)
chuck26_3	Cl1 0.103(9) 0.114(10) 0.092(9) 0.006(7) 0.051(7) 0.028(8)
chuck26_3	F1 0.060(13) 0.094(18) 0.053(13) 0.006(13) -0.001(10) -0.013(13)
chuck26_3	F2 0.062(13) 0.108(18) 0.055(14) 0.009(14) 0.025(11) -0.007(14)
chuck26_3	F3 0.086(16) 0.076(17) 0.077(16) 0.008(14) 0.006(13) 0.011(14)
chuck26_3	F4 0.070(2) 0.130(3) 0.130(3) -0.050(2) 0.009(19) -0.020(2)
chuck26_3	F5 0.180(4) 0.090(3) 0.090(2) -0.008(18) 0.010(2) 0.010(2)
chuck26_3	F6 0.120(3) 0.100(2) 0.061(19) -0.010(18) 0.047(19) -0.010(2)
chuck26_3	F4A 0.070(9) 0.120(11) 0.110(11) 0.000(9) 0.000(8) 0.000(8)
chuck26_3	F5A 0.100(9) 0.110(10) 0.080(9) -0.070(8) -0.050(8) -0.020(8)
chuck26_3	F6A 0.100(5) 0.100(5) 0.100(5) 0.000(2) 0.007(4) 0.000(2)
chuck26_3	F7 0.099(18) 0.068(15) 0.084(17) 0.014(13) 0.012(14) -0.027(14)
chuck26_3	F8 0.110(2) 0.120(2) 0.085(18) 0.030(16) 0.000(15) 0.034(17)
chuck26_3	F9 0.130(2) 0.120(2) 0.068(16) 0.011(17) 0.048(14) -0.006(19)
chuck26_3	F10 0.065(15) 0.160(3) 0.082(17) -0.011(18) -0.007(14) -0.008(16)
chuck26_3	F11 0.042(12) 0.100(2) 0.114(19) -0.016(16) 0.001(13) -0.009(12)
chuck26_3	F12 0.074(15) 0.088 0.178 -0.036 -0.022 -0.005
chuck26_3	F13 0.120(4) 0.080(3) 0.110(4) -0.030(3) 0.040(3) 0.020(3)
chuck26_3	F14 0.080(3) 0.110(4) 0.120(4) 0.000(3) -0.020(3) 0.040(3)
chuck26_3	F15 0.140(5) 0.100(4) 0.230(7) 0.050(5) 0.000(5) 0.000(4)
chuck26_3	F13A 0.130(6) 0.140(6) 0.120(5) -0.020(4) -0.010(4) 0.040(5)
chuck26_3	F14A 0.112(3) 0.069 0.155 -0.033 0.062 -0.005
chuck26_3	F15A 0.097(3) 0.067 0.102 0.044 0.066 0.026
chuck26_3	F16 0.058(14) 0.075(17) 0.160(3) -0.023(17) -0.003(15) 0.000(13)
chuck26_3	F17 0.120(2) 0.130(2) 0.130(2) -0.020(2) -0.036(18) -0.010(2)
chuck26_3	F18 0.080(17) 0.076(16) 0.170(3) -0.030(2) 0.043(16) -0.034(16)
chuck26_3	loop_
chuck26_3	_geom_bond_atom_site_label_1
chuck26_3	_geom_bond_atom_site_label_2
chuck26_3	_geom_bond_distance
chuck26_3	_geom_bond_site_symmetry_2
chuck26_3	_geom_bond_publ_flag
chuck26_3	Sb1 C1 2.22(3) . ?
chuck26_3	Sb1 C10 2.25(3) . ?
chuck26_3	Sb1 Cl1 2.358(11) . ?
chuck26_3	F1 C7 1.3467 . ?
chuck26_3	F2 C7 1.3489 . ?
chuck26_3	F3 C7 1.3281 . ?
chuck26_3	F4 C8 1.3398 . ?
chuck26_3	F5 C8 1.3442 . ?
chuck26_3	F6 C8 1.3502 . ?
chuck26_3	F4A C8 1.3419 . ?
chuck26_3	F5A C8 1.3590 . ?
chuck26_3	F6A C8 1.3344 . ?
chuck26_3	F7 C9 1.3249 . ?
chuck26_3	F8 C9 1.3211 . ?
chuck26_3	F9 C9 1.3496 . ?
chuck26_3	F10 C16 1.3315 . ?
chuck26_3	F11 C16 1.3584 . ?
chuck26_3	F12 C16 1.3417 . ?
chuck26_3	F13 C17 1.3362 . ?
chuck26_3	F14 C17 1.3635 . ?
chuck26_3	F15 C17 1.3081 . ?
chuck26_3	F13A C17 1.3733 . ?
chuck26_3	F14A C17 1.3189 . ?
chuck26_3	F15A C17 1.3283 . ?
chuck26_3	F16 C18 1.3092 . ?
chuck26_3	F17 C18 1.3409 . ?
chuck26_3	F18 C18 1.3394 . ?
chuck26_3	C1 C2 1.37(4) . ?
chuck26_3	C1 C6 1.41(4) . ?
chuck26_3	C2 C3 1.36(4) . ?
chuck26_3	C2 C7 1.55(3) . ?
chuck26_3	C3 C4 1.37(4) . ?
chuck26_3	C4 C5 1.45(5) . ?
chuck26_3	C4 C8 1.50(4) . ?
chuck26_3	C5 C6 1.36(5) . ?
chuck26_3	C6 C9 1.55(4) . ?
chuck26_3	C10 C15 1.41(4) . ?
chuck26_3	C10 C11 1.41(4) . ?
chuck26_3	C11 C12 1.38(5) . ?
chuck26_3	C11 C18 1.54(4) . ?
chuck26_3	C12 C13 1.36(5) . ?
chuck26_3	C13 C14 1.40(5) . ?
chuck26_3	C13 C17 1.51(4) . ?
chuck26_3	C14 C15 1.36(5) . ?
chuck26_3	C15 C16 1.53(4) . ?
chuck26_3	loop_
chuck26_3	_geom_angle_atom_site_label_1
chuck26_3	_geom_angle_atom_site_label_2
chuck26_3	_geom_angle_atom_site_label_3
chuck26_3	_geom_angle
chuck26_3	_geom_angle_site_symmetry_1
chuck26_3	_geom_angle_site_symmetry_3
chuck26_3	_geom_angle_publ_flag
chuck26_3	C1 Sb1 C10 107.0(12) . . ?
chuck26_3	C1 Sb1 Cl1 101.3(9) . . ?
chuck26_3	C10 Sb1 Cl1 88.4(9) . . ?
chuck26_3	C2 C1 C6 115(3) . . ?
chuck26_3	C2 C1 Sb1 125(2) . . ?
chuck26_3	C6 C1 Sb1 120(2) . . ?
chuck26_3	C3 C2 C1 125(3) . . ?
chuck26_3	C3 C2 C7 114(3) . . ?
chuck26_3	C1 C2 C7 122(3) . . ?
chuck26_3	C4 C3 C2 122(3) . . ?
chuck26_3	C3 C4 C5 116(3) . . ?
chuck26_3	C3 C4 C8 123(3) . . ?
chuck26_3	C5 C4 C8 121(3) . . ?
chuck26_3	C6 C5 C4 121(3) . . ?
chuck26_3	C5 C6 C1 122(3) . . ?
chuck26_3	C5 C6 C9 115(3) . . ?
chuck26_3	C1 C6 C9 123(3) . . ?
chuck26_3	F3 C7 F1 106.3 . . ?
chuck26_3	F3 C7 F2 107.5 . . ?
chuck26_3	F1 C7 F2 108.0 . . ?
chuck26_3	F3 C7 C2 110(2) . . ?
chuck26_3	F1 C7 C2 112(2) . . ?
chuck26_3	F2 C7 C2 113(2) . . ?
chuck26_3	F6 C8 F6A 135.8 . . ?
chuck26_3	F6 C8 F4 107.1 . . ?
chuck26_3	F6A C8 F4 65.9 . . ?
chuck26_3	F6 C8 F4A 42.4 . . ?
chuck26_3	F6A C8 F4A 110.6 . . ?
chuck26_3	F4 C8 F4A 135.6 . . ?
chuck26_3	F6 C8 F5 107.9 . . ?
chuck26_3	F6A C8 F5 44.5 . . ?
chuck26_3	F4 C8 F5 106.9 . . ?
chuck26_3	F4A C8 F5 69.5 . . ?
chuck26_3	F6 C8 F5A 67.3 . . ?
chuck26_3	F6A C8 F5A 107.9 . . ?
chuck26_3	F4 C8 F5A 44.4 . . ?
chuck26_3	F4A C8 F5A 107.5 . . ?
chuck26_3	F5 C8 F5A 137.5 . . ?
chuck26_3	F6 C8 C4 111(2) . . ?
chuck26_3	F6A C8 C4 111(2) . . ?
chuck26_3	F4 C8 C4 112(2) . . ?
chuck26_3	F4A C8 C4 110(2) . . ?
chuck26_3	F5 C8 C4 111(2) . . ?
chuck26_3	F5A C8 C4 110(2) . . ?
chuck26_3	F8 C9 F7 110.7 . . ?
chuck26_3	F8 C9 F9 107.7 . . ?
chuck26_3	F7 C9 F9 107.3 . . ?
chuck26_3	F8 C9 C6 112(2) . . ?
chuck26_3	F7 C9 C6 109(2) . . ?
chuck26_3	F9 C9 C6 110(2) . . ?
chuck26_3	C15 C10 C11 116(3) . . ?
chuck26_3	C15 C10 Sb1 114(2) . . ?
chuck26_3	C11 C10 Sb1 129(3) . . ?
chuck26_3	C12 C11 C10 119(3) . . ?
chuck26_3	C12 C11 C18 116(3) . . ?
chuck26_3	C10 C11 C18 124(3) . . ?
chuck26_3	C13 C12 C11 125(4) . . ?
chuck26_3	C12 C13 C14 117(4) . . ?
chuck26_3	C12 C13 C17 122(3) . . ?
chuck26_3	C14 C13 C17 121(3) . . ?
chuck26_3	C15 C14 C13 120(4) . . ?
chuck26_3	C14 C15 C10 123(3) . . ?
chuck26_3	C14 C15 C16 114(3) . . ?
chuck26_3	C10 C15 C16 122(3) . . ?
chuck26_3	F10 C16 F12 108.0 . . ?
chuck26_3	F10 C16 F11 106.1 . . ?
chuck26_3	F12 C16 F11 105.6 . . ?
chuck26_3	F10 C16 C15 112(2) . . ?
chuck26_3	F12 C16 C15 113(2) . . ?
chuck26_3	F11 C16 C15 112(2) . . ?
chuck26_3	F15 C17 F14A 135.5 . . ?
chuck26_3	F15 C17 F15A 57.7 . . ?
chuck26_3	F14A C17 F15A 111.2 . . ?
chuck26_3	F15 C17 F13 112.6 . . ?
chuck26_3	F14A C17 F13 44.2 . . ?
chuck26_3	F15A C17 F13 139.2 . . ?
chuck26_3	F15 C17 F14 109.0 . . ?
chuck26_3	F14A C17 F14 63.2 . . ?
chuck26_3	F15A C17 F14 53.9 . . ?
chuck26_3	F13 C17 F14 106.2 . . ?
chuck26_3	F15 C17 F13A 50.6 . . ?
chuck26_3	F14A C17 F13A 107.6 . . ?
chuck26_3	F15A C17 F13A 106.5 . . ?
chuck26_3	F13 C17 F13A 67.0 . . ?
chuck26_3	F14 C17 F13A 143.5 . . ?
chuck26_3	F15 C17 C13 111(2) . . ?
chuck26_3	F14A C17 C13 113(2) . . ?
chuck26_3	F15A C17 C13 109(2) . . ?
chuck26_3	F13 C17 C13 111(2) . . ?
chuck26_3	F14 C17 C13 106(2) . . ?
chuck26_3	F13A C17 C13 109(2) . . ?
chuck26_3	F16 C18 F18 109.7 . . ?
chuck26_3	F16 C18 F17 107.9 . . ?
chuck26_3	F18 C18 F17 106.5 . . ?
chuck26_3	F16 C18 C11 114(2) . . ?
chuck26_3	F18 C18 C11 110(2) . . ?
chuck26_3	F17 C18 C11 109(2) . . ?
chuck31_4	data_chuck31_4
chuck31_4	_audit_creation_method           'manual editing'
chuck31_4	_chemical_name_systematic        ?
chuck31_4	_chemical_name_common            ?
chuck31_4	_chemical_melting_point          126-127
chuck31_4	_chemical_formula_moiety         ?
chuck31_4	_chemical_formula_sum            'C19 H4 F21 O3 S Sb'
chuck31_4	_chemical_formula_weight         833.03
chuck31_4	_symmetry_cell_setting           orthorhombic
chuck31_4	_symmetry_space_group_name_H-M   'P 21 21 21'
chuck31_4	_cell_length_a                   16.172(4)
chuck31_4	_cell_length_b                   17.758(2)
chuck31_4	_cell_length_c                   9.119(1)
chuck31_4	_cell_angle_alpha                90.00
chuck31_4	_cell_angle_beta                 90.00
chuck31_4	_cell_angle_gamma                90.00
chuck31_4	_cell_volume                     2618.8(6)
chuck31_4	_cell_formula_units_Z            4
chuck31_4	_cell_measurement_temperature    296(1)
chuck31_4	_cell_measurement_reflns_used    25
chuck31_4	_cell_measurement_theta_min      18.4
chuck31_4	_cell_measurement_theta_max      21.4
chuck31_4	_exptl_crystal_description       block
chuck31_4	_exptl_crystal_colour            colourless
chuck31_4	_exptl_crystal_size_max          0.50
chuck31_4	_exptl_crystal_size_mid          0.40
chuck31_4	_exptl_crystal_size_min          0.40
chuck31_4	_exptl_crystal_density_meas      ?
chuck31_4	_exptl_crystal_density_diffrn    2.113
chuck31_4	_exptl_crystal_density_method    'not measured'
chuck31_4	_exptl_crystal_F_000             1592
chuck31_4	_exptl_absorpt_coefficient_mu    1.304
chuck31_4	_exptl_absorpt_correction_type   psi-scan
chuck31_4	_exptl_absorpt_correction_T_min  0.97
chuck31_4	_exptl_absorpt_correction_T_max  1.00
chuck31_4	_exptl_absorpt_process_details   ?
chuck31_4	_exptl_special_details
chuck31_4	; 
chuck31_4	 ? 
chuck31_4	;
chuck31_4	_diffrn_ambient_temperature      296(1)
chuck31_4	_diffrn_radiation_wavelength     0.71069
chuck31_4	_diffrn_radiation_type           MoK\a
chuck31_4	_diffrn_radiation_source         'rotating anode (50 kV, 160 mA)'
chuck31_4	_diffrn_radiation_monochromator  graphite
chuck31_4	_diffrn_measurement_device_type  'Rigaku AFC5R'
chuck31_4	_diffrn_measurement_method       '\w-2\q scans'
chuck31_4	_diffrn_standards_number         3
chuck31_4	_diffrn_standards_interval_count 150
chuck31_4	_diffrn_standards_interval_time  ?
chuck31_4	_diffrn_standards_decay_%        4.0
chuck31_4	_diffrn_reflns_number            4287
chuck31_4	_diffrn_reflns_av_R_equivalents  ?
chuck31_4	_diffrn_reflns_av_sigmaI/netI    ?
chuck31_4	_diffrn_reflns_limit_h_min       0
chuck31_4	_diffrn_reflns_limit_h_max       22
chuck31_4	_diffrn_reflns_limit_k_min       0
chuck31_4	_diffrn_reflns_limit_k_max       24
chuck31_4	_diffrn_reflns_limit_l_min       0
chuck31_4	_diffrn_reflns_limit_l_max       12
chuck31_4	_diffrn_reflns_theta_min         2.51
chuck31_4	_diffrn_reflns_theta_max         30.0
chuck31_4	_reflns_number_total             ?
chuck31_4	_reflns_number_gt                1840
chuck31_4	_reflns_threshold_expression     I>3sigma(I)
chuck31_4	_computing_data_collection       'Rigaku AFC5R'
chuck31_4	_computing_cell_refinement       'Rigaku AFC5R'
chuck31_4	_computing_data_reduction        'Rigaku AFC5R'
chuck31_4	_computing_structure_solution    SIR92
chuck31_4	_computing_structure_refinement  DIRDIF94
chuck31_4	_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994) and teXsan'
chuck31_4	_computing_publication_material  ?
chuck31_4	_refine_special_details
chuck31_4	; 
chuck31_4	 ?
chuck31_4	;
chuck31_4	_refine_ls_structure_factor_coef F
chuck31_4	_refine_ls_matrix_type           full
chuck31_4	_refine_ls_weighting_scheme      unit
chuck31_4	_refine_ls_weighting_details     ?
chuck31_4	_atom_sites_solution_primary     direct
chuck31_4	_atom_sites_solution_secondary   difmap
chuck31_4	_atom_sites_solution_hydrogens   geom
chuck31_4	_refine_ls_hydrogen_treatment    noref
chuck31_4	_refine_ls_extinction_method     secondary
chuck31_4	_refine_ls_extinction_coef       2.42117e-007
chuck31_4	_refine_ls_abs_structure_details ?
chuck31_4	_refine_ls_abs_structure_Flack   ?
chuck31_4	_refine_ls_number_reflns         1840
chuck31_4	_refine_ls_number_parameters     368
chuck31_4	_refine_ls_number_restraints     ?
chuck31_4	_refine_ls_R_factor_all          ?
chuck31_4	_refine_ls_R_factor_gt           0.043
chuck31_4	_refine_ls_wR_factor_ref         0.044
chuck31_4	_refine_ls_wR_factor_gt          0.044
chuck31_4	_refine_ls_goodness_of_fit_ref   1.40
chuck31_4	_refine_ls_restrained_S_all      ?
chuck31_4	_refine_ls_shift/su_max          0.53
chuck31_4	_refine_ls_shift/su_mean         ?
chuck31_4	_geom_special_details
chuck31_4	; 
chuck31_4	 ?
chuck31_4	;
chuck31_4	_refine_diff_density_max         0.72
chuck31_4	_refine_diff_density_min         -0.43
chuck31_4	_refine_diff_density_rms         ?
chuck31_4	loop_
chuck31_4	_atom_type_symbol
chuck31_4	_atom_type_description
chuck31_4	_atom_type_scat_dispersion_real
chuck31_4	_atom_type_scat_dispersion_imag
chuck31_4	_atom_type_scat_source
chuck31_4	C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck31_4	H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck31_4	O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck31_4	F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck31_4	S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck31_4	Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
chuck31_4	loop_
chuck31_4	_symmetry_equiv_pos_as_xyz
chuck31_4	'x, y, z'
chuck31_4	'-x+1/2, -y, z+1/2'
chuck31_4	'-x, y+1/2, -z+1/2'
chuck31_4	'x+1/2, -y+1/2, -z'
chuck31_4	loop_
chuck31_4	_atom_site_label
chuck31_4	_atom_site_type_symbol
chuck31_4	_atom_site_fract_x
chuck31_4	_atom_site_fract_y
chuck31_4	_atom_site_fract_z
chuck31_4	_atom_site_B_iso_or_equiv
chuck31_4	_atom_site_adp_type
chuck31_4	_atom_site_occupancy
chuck31_4	_atom_site_symmetry_multiplicity
chuck31_4	_atom_site_calc_flag
chuck31_4	_atom_site_refinement_flags
chuck31_4	_atom_site_disorder_assembly
chuck31_4	_atom_site_disorder_group
chuck31_4	Sb1 Sb 0.23906(3) 0.22665(3) -0.0032(1) 3.72(1) Uani 1 1 d . . .
chuck31_4	S1 S 0.3148(2) 0.3011(2) -0.2912(4) 5.70(8) Uani 1 1 d . . .
chuck31_4	F1 F 0.0276(4) 0.1706(4) 0.1344(8) 6.4(2) Uani 1 1 d . . .
chuck31_4	F2 F 0.1506(4) 0.1545(4) 0.2100(8) 6.1(2) Uani 1 1 d . . .
chuck31_4	F3 F 0.0534(5) 0.1778(4) 0.3659(8) 6.8(2) Uani 1 1 d . . .
chuck31_4	F4 F -0.0311(9) 0.4199(7) 0.489(2) 10.1(4) Uani 0.70 1 d P A 1
chuck31_4	F5 F 0.0501(7) 0.5096(7) 0.454(2) 8.9(4) Uani 0.70 1 d P A 1
chuck31_4	F6 F -0.0430(8) 0.4892(8) 0.303(1) 10.0(4) Uani 0.70 1 d P A 1
chuck31_4	F7 F 0.2877(5) 0.4710(5) 0.160(1) 9.1(2) Uani 1 1 d . . .
chuck31_4	F8 F 0.2426(6) 0.4472(4) -0.0548(8) 7.2(2) Uani 1 1 d . . .
chuck31_4	F9 F 0.3203(4) 0.3682(4) 0.0543(7) 5.9(2) Uani 1 1 d . . .
chuck31_4	F10 F 0.3102(4) 0.0756(5) -0.1379(9) 8.0(2) Uani 1 1 d . . .
chuck31_4	F11 F 0.2505(7) 0.0608(4) 0.0691(8) 7.4(2) Uani 1 1 d . . .
chuck31_4	F12 F 0.2472(6) -0.0265(4) -0.090(1) 9.7(2) Uani 1 1 d . . .
chuck31_4	F13 F -0.0560(8) -0.0298(8) -0.305(2) 9.8(4) Uani 0.70 1 d P B 3
chuck31_4	F14 F 0.035(1) -0.0490(9) -0.446(2) 13.9(6) Uani 0.70 1 d P B 3
chuck31_4	F15 F -0.052(1) 0.0389(7) -0.478(2) 15.3(5) Uani 0.70 1 d P B 3
chuck31_4	F16 F 0.0338(7) 0.2884(4) -0.3261(9) 10.6(3) Uani 1 1 d . . .
chuck31_4	F17 F 0.0818(4) 0.3098(3) -0.1215(8) 6.6(2) Uani 1 1 d . . .
chuck31_4	F18 F -0.0344(5) 0.2624(5) -0.150(2) 14.5(4) Uani 1 1 d . . .
chuck31_4	F19 F 0.2252(8) 0.2159(8) -0.452(1) 18.9(5) Uani 1 1 d . . .
chuck31_4	F20 F 0.2131(8) 0.331(1) -0.480(1) 19.7(6) Uani 1 1 d . . .
chuck31_4	F21 F 0.3203(8) 0.280(1) -0.562(1) 20.3(6) Uani 1 1 d . . .
chuck31_4	F22 F 0.0455 0.4546 0.5147 10(1) Uani 0.30 1 d P A 2
chuck31_4	F23 F 0.0263 0.5180 0.3573 13(1) Uani 0.30 1 d P A 2
chuck31_4	F24 F -0.0594 0.4289 0.4153 8.9(9) Uani 0.30 1 d P A 2
chuck31_4	F25 F 0.0191 0.0098 -0.5113 7.9(8) Uani 0.30 1 d P B 4
chuck31_4	F26 F 0.0280 -0.0615 -0.3586 13(1) Uani 0.30 1 d P B 4
chuck31_4	F27 F -0.0779 0.0155 -0.3698 27(2) Uani 0.30 1 d P B 4
chuck31_4	O1 O 0.2429(4) 0.2972(4) -0.1854(7) 4.6(1) Biso 1 1 d . . .
chuck31_4	O2 O 0.3469(6) 0.3734(6) -0.313(1) 8.4(3) Biso 1 1 d . . .
chuck31_4	O3 O 0.3697(6) 0.2409(6) -0.265(1) 8.9(3) Biso 1 1 d . . .
chuck31_4	C1 C 0.1647(6) 0.3047(6) 0.132(1) 3.7(2) Biso 1 1 d . . .
chuck31_4	C2 C 0.0994(5) 0.2780(6) 0.220(1) 3.3(2) Biso 1 1 d . . .
chuck31_4	C3 C 0.0502(7) 0.3286(6) 0.300(1) 4.3(2) Biso 1 1 d . . .
chuck31_4	C4 C 0.0662(6) 0.4031(6) 0.300(1) 3.9(2) Biso 1 1 d . A .
chuck31_4	C5 C 0.1323(6) 0.4291(6) 0.223(1) 3.8(2) Biso 1 1 d . . .
chuck31_4	C6 C 0.1833(6) 0.3807(6) 0.145(1) 3.7(2) Biso 1 1 d . . .
chuck31_4	C7 C 0.0807(8) 0.1943(7) 0.229(1) 4.8(3) Uani 1 1 d . . .
chuck31_4	C8 C 0.0097(8) 0.4544(8) 0.386(2) 5.5(3) Uani 1 1 d . . .
chuck31_4	C9 C 0.2600(9) 0.4181(7) 0.077(1) 5.1(3) Uani 1 1 d . . .
chuck31_4	C10 C 0.1473(6) 0.1567(6) -0.125(1) 3.2(2) Biso 1 1 d . . .
chuck31_4	C11 C 0.1658(6) 0.0811(6) -0.141(1) 3.7(2) Biso 1 1 d . . .
chuck31_4	C12 C 0.1181(7) 0.0329(6) -0.225(1) 4.6(2) Biso 1 1 d . . .
chuck31_4	C13 C 0.0483(7) 0.0575(6) -0.291(1) 4.6(2) Biso 1 1 d . B .
chuck31_4	C14 C 0.0282(6) 0.1328(6) -0.282(1) 4.0(2) Biso 1 1 d . . .
chuck31_4	C15 C 0.0742(8) 0.1812(7) -0.198(1) 4.2(2) Biso 1 1 d . . .
chuck31_4	C16 C 0.245(1) 0.0468(8) -0.074(2) 6.5(4) Uani 1 1 d . . .
chuck31_4	C17 C -0.005(1) 0.0055(8) -0.383(2) 7.2(4) Uani 1 1 d . . .
chuck31_4	C18 C 0.0413(7) 0.2603(6) -0.196(1) 4.5(3) Uani 1 1 d . . .
chuck31_4	C19 C 0.270(1) 0.270(1) -0.444(2) 13.4(7) Uani 1 1 d . . .
chuck31_4	H1 H 0.0047 0.3111 0.3615 5.0 Biso 1 1 c R . .
chuck31_4	H2 H 0.1439 0.4824 0.2231 4.5 Biso 1 1 c R . .
chuck31_4	H3 H 0.1362 -0.0191 -0.2401 5.4 Biso 1 1 c R . .
chuck31_4	H4 H -0.0189 0.1519 -0.3359 4.7 Biso 1 1 c R . .
chuck31_4	loop_
chuck31_4	_atom_site_aniso_label
chuck31_4	_atom_site_aniso_U_11
chuck31_4	_atom_site_aniso_U_22
chuck31_4	_atom_site_aniso_U_33
chuck31_4	_atom_site_aniso_U_23
chuck31_4	_atom_site_aniso_U_13
chuck31_4	_atom_site_aniso_U_12
chuck31_4	Sb1 0.0425(2) 0.0529(3) 0.0458(2) 0.0003(6) -0.0035(6) 0.0047(3)
chuck31_4	S1 0.069(2) 0.080(2) 0.068(2) 0.004(2) 0.006(2) -0.010(2)
chuck31_4	F1 0.092(5) 0.059(4) 0.093(5) -0.020(4) 0.013(4) -0.026(4)
chuck31_4	F2 0.094(5) 0.046(4) 0.090(5) 0.008(4) 0.021(4) 0.005(4)
chuck31_4	F3 0.134(6) 0.053(4) 0.072(5) -0.001(4) 0.040(5) -0.019(4)
chuck31_4	F4 0.18(1) 0.087(8) 0.12(1) -0.02(1) 0.08(1) 0.024(8)
chuck31_4	F5 0.081(7) 0.116(9) 0.14(1) -0.092(8) 0.013(8) 0.003(7)
chuck31_4	F6 0.12(1) 0.17(1) 0.089(9) -0.059(9) -0.021(8) 0.079(9)
chuck31_4	F7 0.105(6) 0.114(6) 0.128(7) -0.049(6) 0.030(5) -0.060(5)
chuck31_4	F8 0.089(5) 0.095(5) 0.091(5) 0.026(4) 0.022(5) 0.007(5)
chuck31_4	F9 0.056(3) 0.078(4) 0.090(5) 0.001(4) 0.005(3) -0.015(3)
chuck31_4	F10 0.068(4) 0.134(7) 0.102(6) 0.009(6) 0.011(5) 0.040(5)
chuck31_4	F11 0.126(7) 0.088(5) 0.067(4) 0.005(4) -0.036(5) 0.046(6)
chuck31_4	F12 0.148(7) 0.067(4) 0.152(7) -0.014(5) -0.045(7) 0.048(6)
chuck31_4	F13 0.104(8) 0.16(1) 0.11(1) -0.02(1) -0.003(9) -0.090(8)
chuck31_4	F14 0.12(1) 0.18(1) 0.23(2) -0.16(1) -0.01(1) 0.00(1)
chuck31_4	F15 0.33(2) 0.069(8) 0.18(1) -0.03(1) -0.19(1) -0.00(1)
chuck31_4	F16 0.25(1) 0.065(5) 0.088(6) 0.018(5) -0.061(7) 0.050(6)
chuck31_4	F17 0.097(5) 0.045(4) 0.110(6) -0.023(4) -0.044(4) 0.027(3)
chuck31_4	F18 0.073(5) 0.103(7) 0.38(2) -0.00(1) 0.050(8) 0.036(5)
chuck31_4	F19 0.25(1) 0.35(1) 0.120(8) -0.135(9) 0.062(8) -0.18(1)
chuck31_4	F20 0.18(1) 0.49(3) 0.088(7) 0.07(1) -0.040(8) -0.01(1)
chuck31_4	F21 0.23(1) 0.47(2) 0.074(6) -0.07(1) 0.056(7) -0.10(2)
chuck31_4	F22 0.16(3) 0.14(3) 0.09(2) -0.05(2) 0.00(3) 0.01(2)
chuck31_4	F23 0.36(6) 0.03(1) 0.10(3) -0.01(2) 0.08(3) 0.05(2)
chuck31_4	F24 0.017(9) 0.18(3) 0.14(3) -0.01(2) 0.02(1) 0.01(1)
chuck31_4	F25 0.13(2) 0.07(2) 0.10(2) -0.03(2) -0.01(3) -0.02(2)
chuck31_4	F26 0.28(5) 0.05(2) 0.17(4) 0.00(2) -0.04(4) -0.09(2)
chuck31_4	F27 0.03(1) 0.8(1) 0.22(4) -0.33(4) -0.03(2) 0.01(3)
chuck31_4	C7 0.063(7) 0.057(7) 0.062(8) -0.007(7) 0.004(6) -0.008(6)
chuck31_4	C8 0.074(8) 0.069(9) 0.068(9) -0.012(7) 0.014(7) 0.021(7)
chuck31_4	C9 0.061(7) 0.073(7) 0.058(7) -0.020(6) 0.006(7) -0.016(7)
chuck31_4	C16 0.09(1) 0.074(8) 0.079(9) -0.002(7) -0.01(1) 0.041(9)
chuck31_4	C17 0.14(1) 0.061(9) 0.08(1) -0.012(9) -0.01(1) -0.039(9)
chuck31_4	C18 0.060(6) 0.042(6) 0.068(7) 0.006(6) -0.013(6) 0.004(5)
chuck31_4	C19 0.13(1) 0.24(2) 0.13(2) -0.07(2) 0.06(1) -0.09(2)
chuck31_4	loop_
chuck31_4	_geom_bond_atom_site_label_1
chuck31_4	_geom_bond_atom_site_label_2
chuck31_4	_geom_bond_distance
chuck31_4	_geom_bond_site_symmetry_2
chuck31_4	_geom_bond_publ_flag
chuck31_4	Sb1 O1 2.082(8) . ?
chuck31_4	Sb1 C1 2.21(1) . ?
chuck31_4	Sb1 C10 2.23(1) . ?
chuck31_4	S1 O1 1.513(9) . ?
chuck31_4	S1 O2 1.40(1) . ?
chuck31_4	S1 O3 1.41(1) . ?
chuck31_4	S1 C19 1.66(2) . ?
chuck31_4	F1 C7 1.29(2) . ?
chuck31_4	F2 C7 1.34(2) . ?
chuck31_4	F3 C7 1.36(2) . ?
chuck31_4	F4 C8 1.30(2) . ?
chuck31_4	F5 C8 1.33(2) . ?
chuck31_4	F6 C8 1.30(2) . ?
chuck31_4	F7 C9 1.29(2) . ?
chuck31_4	F8 C9 1.33(2) . ?
chuck31_4	F9 C9 1.33(2) . ?
chuck31_4	F10 C16 1.31(2) . ?
chuck31_4	F11 C16 1.33(2) . ?
chuck31_4	F12 C16 1.31(2) . ?
chuck31_4	F13 C17 1.25(2) . ?
chuck31_4	F14 C17 1.30(2) . ?
chuck31_4	F15 C17 1.29(2) . ?
chuck31_4	F16 C18 1.29(1) . ?
chuck31_4	F17 C18 1.29(1) . ?
chuck31_4	F18 C18 1.30(2) . ?
chuck31_4	F19 C19 1.21(3) . ?
chuck31_4	F20 C19 1.47(3) . ?
chuck31_4	F21 C19 1.36(2) . ?
chuck31_4	F22 C8 1.31(2) . ?
chuck31_4	F23 C8 1.19(2) . ?
chuck31_4	F24 C8 1.24(2) . ?
chuck31_4	F25 C17 1.24(2) . ?
chuck31_4	F26 C17 1.33(2) . ?
chuck31_4	F27 C17 1.19(2) . ?
chuck31_4	C1 C2 1.41(1) . ?
chuck31_4	C1 C6 1.39(2) . ?
chuck31_4	C2 C3 1.40(2) . ?
chuck31_4	C2 C7 1.52(2) . ?
chuck31_4	C3 C4 1.35(2) . ?
chuck31_4	C4 C5 1.36(2) . ?
chuck31_4	C4 C8 1.51(2) . ?
chuck31_4	C5 C6 1.39(2) . ?
chuck31_4	C6 C9 1.54(2) . ?
chuck31_4	C10 C11 1.38(2) . ?
chuck31_4	C10 C15 1.42(2) . ?
chuck31_4	C11 C12 1.39(2) . ?
chuck31_4	C11 C16 1.55(2) . ?
chuck31_4	C12 C13 1.35(2) . ?
chuck31_4	C13 C14 1.38(2) . ?
chuck31_4	C13 C17 1.52(2) . ?
chuck31_4	C14 C15 1.37(2) . ?
chuck31_4	C15 C18 1.50(2) . ?
chuck31_4	C3 H1 0.98 . ?
chuck31_4	C5 H2 0.96 . ?
chuck31_4	C12 H3 0.98 . ?
chuck31_4	C14 H4 0.97 . ?
chuck31_4	loop_
chuck31_4	_geom_angle_atom_site_label_1
chuck31_4	_geom_angle_atom_site_label_2
chuck31_4	_geom_angle_atom_site_label_3
chuck31_4	_geom_angle
chuck31_4	_geom_angle_site_symmetry_1
chuck31_4	_geom_angle_site_symmetry_3
chuck31_4	_geom_angle_publ_flag
chuck31_4	O1 Sb1 C1 94.8(4) . . ?
chuck31_4	O1 Sb1 C10 87.7(4) . . ?
chuck31_4	C1 Sb1 C10 105.3(4) . . ?
chuck31_4	O2 S1 O1 114.6(6) . . ?
chuck31_4	O3 S1 O1 109.9(6) . . ?
chuck31_4	O1 S1 C19 100.6(8) . . ?
chuck31_4	O2 S1 O3 119.2(7) . . ?
chuck31_4	O2 S1 C19 111(1) . . ?
chuck31_4	O3 S1 C19 99(1) . . ?
chuck31_4	S1 O1 Sb1 124.0(5) . . ?
chuck31_4	C2 C1 Sb1 121.0(9) . . ?
chuck31_4	C6 C1 Sb1 122.7(9) . . ?
chuck31_4	C6 C1 C2 116(1) . . ?
chuck31_4	C3 C2 C1 120(1) . . ?
chuck31_4	C1 C2 C7 120(1) . . ?
chuck31_4	C3 C2 C7 119(1) . . ?
chuck31_4	C4 C3 C2 121(1) . . ?
chuck31_4	C3 C4 C5 119(1) . . ?
chuck31_4	C3 C4 C8 118(1) . . ?
chuck31_4	C5 C4 C8 123(1) . . ?
chuck31_4	C4 C5 C6 121(1) . . ?
chuck31_4	C5 C6 C1 121(1) . . ?
chuck31_4	C1 C6 C9 124(1) . . ?
chuck31_4	C5 C6 C9 115(1) . . ?
chuck31_4	F1 C7 F2 108(1) . . ?
chuck31_4	F1 C7 F3 109(1) . . ?
chuck31_4	F1 C7 C2 115(1) . . ?
chuck31_4	F2 C7 F3 106(1) . . ?
chuck31_4	F2 C7 C2 110(1) . . ?
chuck31_4	F3 C7 C2 109(1) . . ?
chuck31_4	F4 C8 F5 105(2) . . ?
chuck31_4	F6 C8 F4 108(2) . . ?
chuck31_4	F4 C8 F22 65(1) . . ?
chuck31_4	F23 C8 F4 136(1) . . ?
chuck31_4	F24 C8 F4 38(1) . . ?
chuck31_4	F4 C8 C4 114(1) . . ?
chuck31_4	F6 C8 F5 104(2) . . ?
chuck31_4	F22 C8 F5 51(1) . . ?
chuck31_4	F23 C8 F5 45(1) . . ?
chuck31_4	F24 C8 F5 128(1) . . ?
chuck31_4	F5 C8 C4 113(1) . . ?
chuck31_4	F6 C8 F22 145(1) . . ?
chuck31_4	F23 C8 F6 64(1) . . ?
chuck31_4	F24 C8 F6 73(1) . . ?
chuck31_4	F6 C8 C4 112(1) . . ?
chuck31_4	F23 C8 F22 96(1) . . ?
chuck31_4	F24 C8 F22 102(1) . . ?
chuck31_4	F22 C8 C4 102(1) . . ?
chuck31_4	F23 C8 F24 127(1) . . ?
chuck31_4	F23 C8 C4 109(1) . . ?
chuck31_4	F24 C8 C4 116(1) . . ?
chuck31_4	F7 C9 F8 109(1) . . ?
chuck31_4	F7 C9 F9 109(1) . . ?
chuck31_4	F7 C9 C6 111(1) . . ?
chuck31_4	F9 C9 F8 106(1) . . ?
chuck31_4	F8 C9 C6 111(1) . . ?
chuck31_4	F9 C9 C6 111(1) . . ?
chuck31_4	C11 C10 Sb1 116.7(8) . . ?
chuck31_4	C15 C10 Sb1 128.0(9) . . ?
chuck31_4	C11 C10 C15 115(1) . . ?
chuck31_4	C10 C11 C12 123(1) . . ?
chuck31_4	C10 C11 C16 121(1) . . ?
chuck31_4	C12 C11 C16 116(1) . . ?
chuck31_4	C13 C12 C11 121(1) . . ?
chuck31_4	C12 C13 C14 119(1) . . ?
chuck31_4	C12 C13 C17 122(1) . . ?
chuck31_4	C14 C13 C17 119(1) . . ?
chuck31_4	C15 C14 C13 121(1) . . ?
chuck31_4	C14 C15 C10 121(1) . . ?
chuck31_4	C10 C15 C18 125(1) . . ?
chuck31_4	C14 C15 C18 114(1) . . ?
chuck31_4	F10 C16 F11 108(2) . . ?
chuck31_4	F10 C16 F12 108(2) . . ?
chuck31_4	F10 C16 C11 110(1) . . ?
chuck31_4	F12 C16 F11 107(1) . . ?
chuck31_4	F11 C16 C11 112(2) . . ?
chuck31_4	F12 C16 C11 112(2) . . ?
chuck31_4	F13 C17 F14 102(2) . . ?
chuck31_4	F13 C17 F15 103(2) . . ?
chuck31_4	F25 C17 F13 141(2) . . ?
chuck31_4	F13 C17 F26 74(1) . . ?
chuck31_4	F27 C17 F13 51(1) . . ?
chuck31_4	F13 C17 C13 111(2) . . ?
chuck31_4	F15 C17 F14 110(2) . . ?
chuck31_4	F25 C17 F14 58(2) . . ?
chuck31_4	F14 C17 F26 37(1) . . ?
chuck31_4	F27 C17 F14 130(2) . . ?
chuck31_4	F14 C17 C13 114(2) . . ?
chuck31_4	F25 C17 F15 62(1) . . ?
chuck31_4	F15 C17 F26 140(2) . . ?
chuck31_4	F27 C17 F15 55(2) . . ?
chuck31_4	F15 C17 C13 115(2) . . ?
chuck31_4	F25 C17 F26 95(1) . . ?
chuck31_4	F27 C17 F25 114(2) . . ?
chuck31_4	F25 C17 C13 108(1) . . ?
chuck31_4	F27 C17 F26 121(1) . . ?
chuck31_4	F26 C17 C13 103(1) . . ?
chuck31_4	F27 C17 C13 115(1) . . ?
chuck31_4	F17 C18 F16 106(1) . . ?
chuck31_4	F16 C18 F18 101(1) . . ?
chuck31_4	F16 C18 C15 113(1) . . ?
chuck31_4	F17 C18 F18 107(1) . . ?
chuck31_4	F17 C18 C15 117(1) . . ?
chuck31_4	F18 C18 C15 111(1) . . ?
chuck31_4	F19 C19 S1 126(2) . . ?
chuck31_4	F20 C19 S1 102(2) . . ?
chuck31_4	F21 C19 S1 111(2) . . ?
chuck31_4	F19 C19 F20 101(2) . . ?
chuck31_4	F19 C19 F21 114(2) . . ?
chuck31_4	F21 C19 F20 96(2) . . ?
chuck31_4	C2 C3 H1 121.4 . . ?
chuck31_4	C4 C3 H1 117.3 . . ?
chuck31_4	C4 C5 H2 119.2 . . ?
chuck31_4	C6 C5 H2 119.3 . . ?
chuck31_4	C11 C12 H3 119.5 . . ?
chuck31_4	C13 C12 H3 119.6 . . ?
chuck31_4	C13 C14 H4 119.4 . . ?
chuck31_4	C15 C14 H4 119.5 . . ?