#------------------------------------------------------------------------------
#$Date: 2015-07-23 06:54:04 +0300 (Thu, 23 Jul 2015) $
#$Revision: 3607 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/7000165-disorder.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7000165
_journal_name_full  'Dalton Trans.'
_journal_year  2005
loop_
_publ_author_name
'Elena Grachova'
'P. Jutzi'
'Beate Neumann'
'Hans-Georg Stammler'
_publ_section_title
;
Novel rhodium and ruthenium carbonyl cluster complexes
with face- and edge-bridging GaCp* ligands. Synthesis and Structural
Characterization of the Rh6(CO)12(GaCp*)4 and
Ru6(C)(CO)(CO)13(GaCp*)2(GaCp*) clusters.
;
_chemical_formula_moiety  'C48 H52 Ga3 O14 Ru6'
_chemical_formula_sum  'C48 H52 Ga3 O14 Ru6'
_chemical_formula_weight  1668.48
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_cell_length_a  11.796(7)
_cell_length_b  11.878(6)
_cell_length_c  20.135(12)
_cell_angle_alpha  104.97(4)
_cell_angle_beta  97.75(5)
_cell_angle_gamma  91.00(5)
_cell_volume  2697(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  100(2)
_exptl_crystal_density_diffrn  2.055
_diffrn_ambient_temperature  100(2)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.22734(6) 0.04958(6) 0.17743(3) 0.03763(18) Uani 1 1 d . A .
Ru2 Ru 0.28378(5) -0.12677(5) 0.24967(3) 0.02867(15) Uani 1 1 d . A .
Ru3 Ru 0.45523(6) 0.04146(6) 0.25103(3) 0.03231(16) Uani 1 1 d . A .
Ru4 Ru 0.30635(9) 0.23037(6) 0.30490(3) 0.0561(3) Uani 1 1 d . A .
Ru5 Ru 0.13103(6) 0.05768(8) 0.30415(3) 0.0494(2) Uani 1 1 d . A .
Ru6 Ru 0.36104(5) 0.05125(5) 0.37709(3) 0.02946(15) Uani 1 1 d . A .
Ga1 Ga 0.07726(8) -0.10230(12) 0.19049(5) 0.0550(3) Uani 1 1 d . . .
Ga2 Ga 0.39072(13) 0.20714(9) 0.19272(5) 0.0623(4) Uani 1 1 d . . .
Ga3 Ga 0.17619(10) 0.24858(9) 0.39555(5) 0.0510(3) Uani 1 1 d . . .
O1 O 0.0456(7) 0.1784(7) 0.1111(3) 0.079(3) Uani 1 1 d . . .
O2 O 0.2786(5) -0.0921(5) 0.0380(3) 0.0476(15) Uani 1 1 d . . .
O3 O 0.2363(7) -0.2895(7) 0.3364(4) 0.075(2) Uani 1 1 d . . .
O4 O 0.2800(6) -0.3158(5) 0.1162(3) 0.0513(16) Uani 1 1 d . . .
O5 O 0.6806(7) 0.1410(8) 0.3387(4) 0.088(3) Uani 1 1 d . . .
O6 O 0.5594(5) -0.0394(7) 0.1188(3) 0.0549(17) Uani 1 1 d . . .
O7 O 0.5292(5) -0.2040(6) 0.2464(3) 0.0494(16) Uani 1 1 d . . .
O8 O 0.4811(10) 0.4214(7) 0.3866(4) 0.095(3) Uani 1 1 d . A .
O9 O 0.1475(11) 0.3921(8) 0.2513(4) 0.122(5) Uani 1 1 d . A .
O10 O -0.0080(6) -0.0585(9) 0.3860(4) 0.083(3) Uani 1 1 d . A .
O11 O -0.0690(8) 0.1791(9) 0.2496(4) 0.113(4) Uani 1 1 d . A .
O12 O 0.2314(5) -0.0218(6) 0.4808(3) 0.0494(16) Uani 1 1 d . . .
O13 O 0.5451(6) -0.1100(6) 0.4087(3) 0.0591(19) Uani 1 1 d . . .
O14 O 0.5089(6) 0.2496(6) 0.4808(3) 0.0558(18) Uani 1 1 d . . .
C1 C 0.1152(9) 0.1288(9) 0.1349(4) 0.056(3) Uani 1 1 d . . .
C2 C 0.2576(7) -0.0378(8) 0.0904(4) 0.041(2) Uani 1 1 d . . .
C3 C 0.2565(8) -0.2299(8) 0.3031(5) 0.047(2) Uani 1 1 d . . .
C4 C 0.2770(7) -0.2460(7) 0.1661(4) 0.0380(19) Uani 1 1 d . . .
C5 C 0.5965(9) 0.1021(10) 0.3051(5) 0.059(3) Uani 1 1 d . . .
C6 C 0.5215(7) -0.0043(8) 0.1688(4) 0.039(2) Uani 1 1 d . . .
C7 C 0.4612(7) -0.1332(7) 0.2503(4) 0.0348(18) Uani 1 1 d . . .
C8 C 0.4130(13) 0.3495(9) 0.3561(5) 0.075(4) Uani 1 1 d . . .
C9 C 0.2117(14) 0.3346(10) 0.2721(5) 0.094(5) Uani 1 1 d . . .
C10 C 0.0436(8) -0.0138(12) 0.3551(5) 0.068(4) Uani 1 1 d . . .
C11 C 0.0050(10) 0.1303(12) 0.2710(5) 0.084(5) Uani 1 1 d . . .
C12 C 0.2749(7) 0.0102(7) 0.4411(4) 0.0385(19) Uani 1 1 d . . .
C13 C 0.4751(8) -0.0511(8) 0.3948(4) 0.042(2) Uani 1 1 d . . .
C14 C 0.4493(8) 0.1799(7) 0.4408(4) 0.0385(19) Uani 1 1 d . . .
C15 C 0.2920(7) 0.0530(7) 0.2766(4) 0.0355(18) Uani 1 1 d . . .
C16 C -0.1183(8) -0.1729(10) 0.1897(5) 0.052(2) Uani 1 1 d . . .
C17 C -0.0805(7) -0.1597(8) 0.1271(4) 0.042(2) Uani 1 1 d . . .
C18 C -0.0143(7) -0.2581(7) 0.1002(4) 0.0371(19) Uani 1 1 d . . .
C19 C -0.0090(8) -0.3267(8) 0.1478(5) 0.046(2) Uani 1 1 d . . .
C20 C -0.0711(8) -0.2741(10) 0.2016(5) 0.053(3) Uani 1 1 d . . .
C21 C -0.1996(8) -0.0984(12) 0.2299(6) 0.078(4) Uani 1 1 d . . .
H21A H -0.2184 -0.0332 0.2096 0.117 Uiso 1 1 calc R . .
H21B H -0.1640 -0.0679 0.2783 0.117 Uiso 1 1 calc R . .
H21C H -0.2698 -0.1451 0.2281 0.117 Uiso 1 1 calc R . .
C22 C -0.1349(8) -0.0825(8) 0.0845(5) 0.048(2) Uani 1 1 d . . .
H22A H -0.1756 -0.0222 0.1137 0.072 Uiso 1 1 calc R . .
H22B H -0.1890 -0.1295 0.0456 0.072 Uiso 1 1 calc R . .
H22C H -0.0753 -0.0454 0.0664 0.072 Uiso 1 1 calc R . .
C23 C 0.0268(8) -0.2859(8) 0.0313(4) 0.044(2) Uani 1 1 d . . .
H23A H 0.0112 -0.2217 0.0097 0.066 Uiso 1 1 calc R . .
H23B H -0.0133 -0.3579 0.0014 0.066 Uiso 1 1 calc R . .
H23C H 0.1094 -0.2964 0.0375 0.066 Uiso 1 1 calc R . .
C24 C 0.0516(11) -0.4384(9) 0.1424(6) 0.078(4) Uani 1 1 d . . .
H24A H 0.0421 -0.4683 0.1824 0.118 Uiso 1 1 calc R . .
H24B H 0.1333 -0.4234 0.1416 0.118 Uiso 1 1 calc R . .
H24C H 0.0188 -0.4961 0.0995 0.118 Uiso 1 1 calc R . .
C25 C -0.0846(10) -0.3221(12) 0.2633(6) 0.081(4) Uani 1 1 d . . .
H25A H -0.0432 -0.3938 0.2596 0.121 Uiso 1 1 calc R . .
H25B H -0.1660 -0.3393 0.2637 0.121 Uiso 1 1 calc R . .
H25C H -0.0532 -0.2641 0.3064 0.121 Uiso 1 1 calc R . .
C26 C 0.3964(8) 0.3347(7) 0.1349(4) 0.041(2) Uani 1 1 d . . .
C27 C 0.4777(7) 0.2489(7) 0.1094(4) 0.0341(18) Uani 1 1 d . . .
C28 C 0.5808(8) 0.2766(8) 0.1552(5) 0.046(2) Uani 1 1 d . . .
C29 C 0.5660(9) 0.3765(9) 0.2089(5) 0.053(3) Uani 1 1 d . . .
C30 C 0.4564(9) 0.4150(7) 0.1969(4) 0.048(2) Uani 1 1 d . . .
C31 C 0.2852(7) 0.3552(8) 0.0948(4) 0.040(2) Uani 1 1 d . . .
H31A H 0.2627 0.2874 0.0552 0.061 Uiso 1 1 calc R . .
H31B H 0.2947 0.4248 0.0780 0.061 Uiso 1 1 calc R . .
H31C H 0.2256 0.3669 0.1251 0.061 Uiso 1 1 calc R . .
C32 C 0.4588(7) 0.1639(7) 0.0390(4) 0.0387(19) Uani 1 1 d . . .
H32A H 0.3785 0.1625 0.0185 0.058 Uiso 1 1 calc R . .
H32B H 0.4774 0.0858 0.0435 0.058 Uiso 1 1 calc R . .
H32C H 0.5083 0.1877 0.0091 0.058 Uiso 1 1 calc R . .
C33 C 0.6907(8) 0.2154(11) 0.1486(6) 0.072(3) Uani 1 1 d . . .
H33A H 0.6793 0.1483 0.1077 0.107 Uiso 1 1 calc R . .
H33B H 0.7138 0.1885 0.1903 0.107 Uiso 1 1 calc R . .
H33C H 0.7507 0.2695 0.1436 0.107 Uiso 1 1 calc R . .
C34 C 0.6570(11) 0.4347(12) 0.2684(5) 0.088(4) Uani 1 1 d . . .
H34A H 0.7266 0.3909 0.2651 0.132 Uiso 1 1 calc R . .
H34B H 0.6295 0.4364 0.3125 0.132 Uiso 1 1 calc R . .
H34C H 0.6742 0.5147 0.2664 0.132 Uiso 1 1 calc R . .
C35 C 0.4075(12) 0.5219(8) 0.2373(5) 0.082(4) Uani 1 1 d . . .
H35A H 0.3283 0.5266 0.2166 0.123 Uiso 1 1 calc R . .
H35B H 0.4532 0.5911 0.2365 0.123 Uiso 1 1 calc R . .
H35C H 0.4089 0.5181 0.2855 0.123 Uiso 1 1 calc R . .
C36A C 0.0134(5) 0.3281(6) 0.4421(3) 0.029(3) Uiso 0.501(8) 1 d PG A 1
C37A C 0.0727(5) 0.4203(5) 0.4265(3) 0.029(3) Uiso 0.501(8) 1 d PG A 1
C38A C 0.1836(5) 0.4371(5) 0.4663(3) 0.029(3) Uiso 0.501(8) 1 d PG A 1
C39A C 0.1929(5) 0.3553(6) 0.5065(3) 0.028(3) Uiso 0.501(8) 1 d PG A 1
C40A C 0.0877(5) 0.2880(6) 0.4915(3) 0.032(4) Uiso 0.501(8) 1 d PG A 1
C41A C -0.1073(8) 0.2810(9) 0.4116(5) 0.048(5) Uiso 0.501(8) 1 d PG A 1
H41A H -0.1276 0.2173 0.4312 0.073 Uiso 0.501(8) 1 calc PR A 1
H41B H -0.1123 0.2518 0.3610 0.073 Uiso 0.501(8) 1 calc PR A 1
H41C H -0.1604 0.3435 0.4227 0.073 Uiso 0.501(8) 1 calc PR A 1
C42A C 0.0260(8) 0.4884(8) 0.3765(5) 0.036(4) Uiso 0.501(8) 1 d PG A 1
H42A H 0.0842 0.5474 0.3752 0.054 Uiso 0.501(8) 1 calc PR A 1
H42B H -0.0424 0.5270 0.3917 0.054 Uiso 0.501(8) 1 calc PR A 1
H42C H 0.0057 0.4354 0.3300 0.054 Uiso 0.501(8) 1 calc PR A 1
C43A C 0.2755(8) 0.5263(8) 0.4659(5) 0.044(4) Uiso 0.501(8) 1 d PG A 1
H43A H 0.3435 0.5192 0.4980 0.066 Uiso 0.501(8) 1 calc PR A 1
H43B H 0.2473 0.6047 0.4806 0.066 Uiso 0.501(8) 1 calc PR A 1
H43C H 0.2954 0.5131 0.4189 0.066 Uiso 0.501(8) 1 calc PR A 1
C44A C 0.2964(8) 0.3423(9) 0.5563(5) 0.039(4) Uiso 0.501(8) 1 d PG A 1
H44A H 0.3573 0.3998 0.5567 0.058 Uiso 0.501(8) 1 calc PR A 1
H44B H 0.3235 0.2635 0.5414 0.058 Uiso 0.501(8) 1 calc PR A 1
H44C H 0.2755 0.3551 0.6030 0.058 Uiso 0.501(8) 1 calc PR A 1
C45A C 0.0598(8) 0.1907(9) 0.5227(5) 0.048(5) Uiso 0.501(8) 1 d PG A 1
H45A H -0.0184 0.1586 0.5036 0.073 Uiso 0.501(8) 1 calc PR A 1
H45B H 0.0658 0.2208 0.5732 0.073 Uiso 0.501(8) 1 calc PR A 1
H45C H 0.1138 0.1292 0.5116 0.073 Uiso 0.501(8) 1 calc PR A 1
C36B C 0.0231(5) 0.3781(5) 0.4290(3) 0.026(3) Uiso 0.499(8) 1 d PG A 2
C37B C 0.1255(5) 0.4500(6) 0.4424(3) 0.028(3) Uiso 0.499(8) 1 d PG A 2
C38B C 0.2038(5) 0.4148(6) 0.4924(3) 0.029(3) Uiso 0.499(8) 1 d PG A 2
C39B C 0.1498(5) 0.3211(5) 0.5099(3) 0.027(3) Uiso 0.499(8) 1 d PG A 2
C40B C 0.0381(5) 0.2984(5) 0.4707(3) 0.025(3) Uiso 0.499(8) 1 d PG A 2
C41B C -0.0832(8) 0.3850(8) 0.3792(5) 0.041(4) Uiso 0.499(8) 1 d PG A 2
H41D H -0.0711 0.4477 0.3570 0.061 Uiso 0.499(8) 1 calc PR A 2
H41E H -0.1486 0.4014 0.4048 0.061 Uiso 0.499(8) 1 calc PR A 2
H41F H -0.0986 0.3106 0.3437 0.061 Uiso 0.499(8) 1 calc PR A 2
C42B C 0.1472(8) 0.5469(9) 0.4094(5) 0.048(5) Uiso 0.499(8) 1 d PG A 2
H42D H 0.0795 0.5532 0.3768 0.071 Uiso 0.499(8) 1 calc PR A 2
H42E H 0.2132 0.5299 0.3843 0.071 Uiso 0.499(8) 1 calc PR A 2
H42F H 0.1631 0.6207 0.4455 0.071 Uiso 0.499(8) 1 calc PR A 2
C43B C 0.3234(8) 0.4677(9) 0.5217(5) 0.051(5) Uiso 0.499(8) 1 d PG A 2
H43D H 0.3397 0.5312 0.5009 0.076 Uiso 0.499(8) 1 calc PR A 2
H43E H 0.3791 0.4077 0.5111 0.076 Uiso 0.499(8) 1 calc PR A 2
H43F H 0.3290 0.4985 0.5722 0.076 Uiso 0.499(8) 1 calc PR A 2
C44B C 0.2020(8) 0.2569(8) 0.5611(5) 0.034(4) Uiso 0.499(8) 1 d PG A 2
H44D H 0.1469 0.1960 0.5636 0.051 Uiso 0.499(8) 1 calc PR A 2
H44E H 0.2215 0.3119 0.6070 0.051 Uiso 0.499(8) 1 calc PR A 2
H44F H 0.2715 0.2211 0.5458 0.051 Uiso 0.499(8) 1 calc PR A 2
C45B C -0.0493(7) 0.2058(8) 0.4730(5) 0.036(4) Uiso 0.499(8) 1 d PG A 2
H45D H -0.0176 0.1626 0.5060 0.054 Uiso 0.499(8) 1 calc PR A 2
H45E H -0.0685 0.1520 0.4267 0.054 Uiso 0.499(8) 1 calc PR A 2
H45F H -0.1186 0.2428 0.4878 0.054 Uiso 0.499(8) 1 calc PR A 2
C46A C -0.263(2) -0.529(3) 0.0649(18) 0.145(14) Uiso 0.50 1 d PD B -1
H46A H -0.1933 -0.5364 0.0960 0.218 Uiso 0.50 1 calc PR B -1
H46B H -0.2409 -0.5068 0.0244 0.218 Uiso 0.50 1 calc PR B -1
H46C H -0.3073 -0.6037 0.0494 0.218 Uiso 0.50 1 calc PR B -1
C47A C -0.3352(19) -0.434(2) 0.1039(13) 0.080(8) Uiso 0.50 1 d PD B -1
H47A H -0.2894 -0.3593 0.1212 0.096 Uiso 0.50 1 calc PR B -1
H47B H -0.3586 -0.4570 0.1442 0.096 Uiso 0.50 1 calc PR B -1
C48A C -0.442(2) -0.421(2) 0.0542(13) 0.108(10) Uiso 0.50 1 d PD B -1
H48A H -0.4225 -0.3521 0.0376 0.130 Uiso 0.50 1 calc PR B -1
H48B H -0.5015 -0.3954 0.0845 0.130 Uiso 0.50 1 calc PR B -1
C49A C -0.505(2) -0.509(3) -0.0106(18) 0.095(8) Uiso 0.50 1 d PD B -1
H49A H -0.5207 -0.5825 0.0024 0.114 Uiso 0.50 1 calc PR B -1
H49B H -0.4529 -0.5272 -0.0459 0.114 Uiso 0.50 1 calc PR B -1
C50A C -0.6194(18) -0.4749(19) -0.0452(12) 0.070(6) Uiso 0.50 1 d PD B -1
H50A H -0.6716 -0.4500 -0.0102 0.084 Uiso 0.50 1 calc PR B -1
H50B H -0.6052 -0.4090 -0.0652 0.084 Uiso 0.50 1 calc PR B -1
C51A C -0.675(6) -0.581(5) -0.103(4) 0.36(6) Uiso 0.50 1 d PD B -1
H51A H -0.7479 -0.5603 -0.1246 0.544 Uiso 0.50 1 calc PR B -1
H51B H -0.6874 -0.6462 -0.0829 0.544 Uiso 0.50 1 calc PR B -1
H51C H -0.6234 -0.6037 -0.1381 0.544 Uiso 0.50 1 calc PR B -1
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0502(4) 0.0427(4) 0.0170(3) 0.0054(3) -0.0031(3) 0.0187(3)
Ru2 0.0294(3) 0.0324(3) 0.0233(3) 0.0063(3) 0.0027(2) 0.0005(3)
Ru3 0.0389(4) 0.0348(4) 0.0218(3) 0.0090(3) -0.0024(3) -0.0070(3)
Ru4 0.1142(7) 0.0319(4) 0.0180(3) 0.0053(3) -0.0065(4) 0.0286(4)
Ru5 0.0431(4) 0.0811(6) 0.0184(3) 0.0037(3) -0.0010(3) 0.0357(4)
Ru6 0.0355(4) 0.0325(3) 0.0200(3) 0.0098(3) -0.0032(2) 0.0057(3)
Ga1 0.0280(5) 0.1025(9) 0.0234(5) -0.0017(5) -0.0012(4) 0.0164(5)
Ga2 0.1316(11) 0.0325(5) 0.0214(5) 0.0115(4) -0.0033(6) 0.0074(6)
Ga3 0.0744(7) 0.0541(6) 0.0200(4) 0.0031(4) 0.0002(4) 0.0340(6)
O1 0.101(6) 0.097(6) 0.042(4) 0.030(4) -0.008(4) 0.052(5)
O2 0.054(4) 0.054(4) 0.030(3) 0.002(3) 0.009(3) -0.003(3)
O3 0.115(7) 0.068(5) 0.046(4) 0.023(4) 0.014(4) -0.031(5)
O4 0.075(5) 0.036(3) 0.036(3) 0.001(3) -0.002(3) 0.010(3)
O5 0.078(6) 0.126(7) 0.048(4) 0.021(5) -0.017(4) -0.062(5)
O6 0.040(4) 0.095(5) 0.037(3) 0.029(4) 0.007(3) 0.002(3)
O7 0.040(3) 0.057(4) 0.057(4) 0.021(3) 0.013(3) 0.020(3)
O8 0.208(11) 0.039(4) 0.035(4) 0.007(3) 0.014(5) -0.022(5)
O9 0.248(12) 0.098(7) 0.034(4) 0.030(4) 0.027(5) 0.128(8)
O10 0.045(4) 0.151(9) 0.042(4) 0.008(5) 0.009(4) 0.004(5)
O11 0.098(6) 0.175(9) 0.040(4) -0.011(5) -0.022(4) 0.104(7)
O12 0.052(4) 0.061(4) 0.039(3) 0.022(3) 0.005(3) -0.003(3)
O13 0.061(4) 0.071(5) 0.049(4) 0.027(3) -0.003(3) 0.035(4)
O14 0.074(5) 0.054(4) 0.033(3) 0.010(3) -0.009(3) -0.017(4)
C1 0.078(7) 0.064(6) 0.024(4) 0.010(4) -0.002(4) 0.032(6)
C2 0.044(5) 0.048(5) 0.028(4) 0.009(4) 0.000(4) 0.009(4)
C3 0.057(6) 0.046(5) 0.035(5) 0.004(4) 0.009(4) -0.017(4)
C4 0.044(5) 0.038(5) 0.034(4) 0.013(4) 0.003(4) 0.010(4)
C5 0.059(6) 0.081(7) 0.035(5) 0.022(5) -0.008(5) -0.040(6)
C6 0.032(4) 0.054(5) 0.035(5) 0.022(4) -0.001(4) -0.012(4)
C7 0.038(5) 0.037(5) 0.031(4) 0.012(4) 0.006(3) 0.008(4)
C8 0.171(13) 0.031(5) 0.028(5) 0.014(4) 0.019(6) 0.012(7)
C9 0.198(15) 0.070(8) 0.020(4) 0.016(5) 0.022(7) 0.073(9)
C10 0.026(5) 0.123(10) 0.035(5) -0.011(6) -0.006(4) 0.026(6)
C11 0.073(8) 0.129(11) 0.024(5) -0.020(6) -0.011(5) 0.064(8)
C12 0.038(5) 0.044(5) 0.031(4) 0.011(4) -0.006(4) -0.001(4)
C13 0.046(5) 0.051(5) 0.032(4) 0.019(4) 0.002(4) 0.009(4)
C14 0.053(5) 0.041(5) 0.024(4) 0.014(4) 0.006(4) 0.005(4)
C15 0.050(5) 0.032(4) 0.023(4) 0.009(3) -0.005(3) 0.017(4)
C16 0.035(5) 0.084(7) 0.043(5) 0.028(5) 0.005(4) 0.005(5)
C17 0.032(4) 0.062(6) 0.036(4) 0.020(4) 0.009(4) 0.011(4)
C18 0.026(4) 0.043(5) 0.041(5) 0.013(4) -0.006(3) -0.001(3)
C19 0.042(5) 0.050(5) 0.047(5) 0.025(4) -0.010(4) -0.005(4)
C20 0.039(5) 0.083(7) 0.042(5) 0.034(5) -0.005(4) -0.021(5)
C21 0.034(5) 0.148(12) 0.057(7) 0.029(7) 0.015(5) 0.025(6)
C22 0.043(5) 0.057(6) 0.041(5) 0.013(4) -0.005(4) 0.013(4)
C23 0.045(5) 0.049(5) 0.033(4) 0.007(4) -0.001(4) 0.006(4)
C24 0.095(9) 0.055(7) 0.081(8) 0.031(6) -0.031(7) -0.002(6)
C25 0.076(8) 0.115(10) 0.063(7) 0.055(7) -0.006(6) -0.030(7)
C26 0.055(5) 0.031(4) 0.035(4) 0.011(4) -0.010(4) 0.005(4)
C27 0.035(4) 0.032(4) 0.039(4) 0.020(4) -0.001(3) 0.008(3)
C28 0.043(5) 0.061(6) 0.041(5) 0.033(5) -0.006(4) -0.012(4)
C29 0.064(6) 0.055(6) 0.038(5) 0.028(5) -0.020(4) -0.025(5)
C30 0.076(7) 0.027(4) 0.039(5) 0.015(4) -0.011(5) -0.010(4)
C31 0.048(5) 0.043(5) 0.034(4) 0.016(4) 0.006(4) 0.013(4)
C32 0.040(5) 0.045(5) 0.034(4) 0.016(4) 0.004(4) 0.002(4)
C33 0.036(5) 0.120(10) 0.073(7) 0.058(7) -0.006(5) 0.007(6)
C34 0.090(9) 0.120(11) 0.046(6) 0.028(7) -0.025(6) -0.057(8)
C35 0.154(12) 0.023(5) 0.053(6) 0.002(4) -0.021(7) 0.007(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C2 1.875(8) . ?
Ru1 C1 1.876(9) . ?
Ru1 C15 2.030(7) . ?
Ru1 Ga1 2.592(2) . ?
Ru1 Ga2 2.594(2) . ?
Ru1 Ru2 2.8823(16) . ?
Ru1 Ru3 2.905(2) . ?
Ru1 Ru5 2.9102(19) . ?
Ru1 Ru4 2.916(2) . ?
Ru2 C3 1.876(9) . ?
Ru2 C4 1.890(9) . ?
Ru2 C15 2.060(8) . ?
Ru2 C7 2.095(8) . ?
Ru2 Ga1 2.6190(19) . ?
Ru2 Ru3 2.8105(19) . ?
Ru2 Ru6 2.896(2) . ?
Ru2 Ru5 2.9463(19) . ?
Ru3 C5 1.882(9) . ?
Ru3 C6 1.883(9) . ?
Ru3 C15 2.057(9) . ?
Ru3 C7 2.073(8) . ?
Ru3 Ga2 2.6145(17) . ?
Ru3 Ru6 2.8816(19) . ?
Ru3 Ru4 2.948(2) . ?
Ru4 C8 1.866(14) . ?
Ru4 C9 1.868(11) . ?
Ru4 C15 2.034(8) . ?
Ru4 Ga3 2.510(2) . ?
Ru4 Ga2 2.542(2) . ?
Ru4 Ru5 2.883(2) . ?
Ru4 Ru6 2.9066(16) . ?
Ru5 C11 1.864(10) . ?
Ru5 C10 1.882(14) . ?
Ru5 C15 2.046(9) . ?
Ru5 Ga3 2.520(2) . ?
Ru5 Ga1 2.563(2) . ?
Ru5 Ru6 2.918(2) . ?
Ru6 C13 1.888(9) . ?
Ru6 C12 1.896(9) . ?
Ru6 C14 1.907(9) . ?
Ru6 C15 2.081(7) . ?
Ga1 C17 2.103(9) . ?
Ga1 C18 2.358(8) . ?
Ga1 C16 2.438(9) . ?
Ga2 C26 2.141(8) . ?
Ga2 C27 2.234(8) . ?
Ga3 C39A 2.246(7) . ?
Ga3 C40A 2.266(7) . ?
Ga3 C39B 2.305(7) . ?
Ga3 C38A 2.316(7) . ?
Ga3 C40B 2.352(6) . ?
Ga3 C36A 2.356(7) . ?
Ga3 C38B 2.371(7) . ?
Ga3 C37A 2.382(7) . ?
Ga3 C36B 2.444(7) . ?
Ga3 C37B 2.451(7) . ?
O1 C1 1.144(10) . ?
O2 C2 1.147(9) . ?
O3 C3 1.136(10) . ?
O4 C4 1.131(9) . ?
O5 C5 1.140(11) . ?
O6 C6 1.139(10) . ?
O7 C7 1.167(9) . ?
O8 C8 1.150(14) . ?
O9 C9 1.139(13) . ?
O10 C10 1.141(14) . ?
O11 C11 1.153(12) . ?
O12 C12 1.143(10) . ?
O13 C13 1.144(10) . ?
O14 C14 1.145(10) . ?
C16 C20 1.395(14) . ?
C16 C17 1.438(12) . ?
C16 C21 1.492(14) . ?
C17 C18 1.445(12) . ?
C17 C22 1.506(12) . ?
C18 C19 1.406(12) . ?
C18 C23 1.489(12) . ?
C19 C20 1.406(14) . ?
C19 C24 1.504(14) . ?
C20 C25 1.520(13) . ?
C26 C30 1.447(11) . ?
C26 C27 1.455(11) . ?
C26 C31 1.503(11) . ?
C27 C28 1.402(11) . ?
C27 C32 1.498(11) . ?
C28 C29 1.415(14) . ?
C28 C33 1.502(14) . ?
C29 C30 1.389(14) . ?
C29 C34 1.505(12) . ?
C30 C35 1.492(14) . ?
C36A C37A 1.413(4) . ?
C36A C40A 1.417(4) . ?
C36A C41A 1.509(4) . ?
C37A C38A 1.420(4) . ?
C37A C42A 1.504(4) . ?
C38A C39A 1.413(4) . ?
C38A C43A 1.504(4) . ?
C39A C40A 1.418(4) . ?
C39A C44A 1.509(4) . ?
C40A C45A 1.501(4) . ?
C36B C40B 1.417(4) . ?
C36B C37B 1.421(4) . ?
C36B C41B 1.513(4) . ?
C37B C38B 1.421(4) . ?
C37B C42B 1.505(4) . ?
C38B C39B 1.416(4) . ?
C38B C43B 1.513(4) . ?
C39B C40B 1.424(4) . ?
C39B C44B 1.508(4) . ?
C40B C45B 1.508(4) . ?
C46A C47A 1.5398(14) . ?
C47A C48A 1.5399(14) . ?
C48A C49A 1.5400(15) . ?
C49A C50A 1.5400(14) . ?
C50A C51A 1.5400(15) . ?