File: cif_filter_034.out

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data_9007872
loop_
_publ_author_name
'Hammel A'
'Schwarz W'
'Weidlein J'
_publ_section_title
;
 (n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2337
_journal_page_last               2339
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Li N2 C12'
_chemical_name_mineral           Li(C6H7)(C6H16N2)
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.238
_cell_length_b                   16.014
_cell_length_c                   14.522
_cell_volume                     2613.457
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li 0.21180 0.31030 0.39760 0.02700
N1 0.12210 0.38590 0.29890 0.02200
N2 0.22820 0.42230 0.47500 0.02300
C11 0.00580 0.37420 0.31310 0.03600
C12 0.14860 0.36960 0.20170 0.03400
C21 0.35420 0.44520 0.47130 0.03500
C22 0.19070 0.41640 0.57150 0.04100
C111 0.15820 0.47160 0.32360 0.02700
C222 0.15530 0.48510 0.42650 0.02600
C1 0.17290 0.17330 0.36810 0.02400
C2 0.28610 0.19160 0.33340 0.02800
C3 0.35990 0.21540 0.40710 0.03100
C4 0.29190 0.21170 0.48770 0.02900
C5 0.17760 0.18660 0.46380 0.02600
C6 0.06860 0.14120 0.31420 0.03900