data_0-TOPOS_OKUSOE_tfb;sqc7391
_database_code_CSD                  OKUSOE
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        tfb;sqc7391
_chemical_name_systematic
;
catena-((\m~4~-9,9'-Biphenyl-4,4'-diylbis(9H-carbazole-3,6-dicarboxyl
ato))-copper). 
;
_chemical_formula_sum               'ZC0 ZB0'
_citation_journal_abbrev            'NATURE (LONDON)'
_citation_year                      2016
_citation_journal_volume            532
_citation_page_first                348
_citation_special_details
;
Experiment details: under vacuumpowder data. Experiment details: Cu1 
and Cu2 disordered over two sites with occupancies 0.500:0.500.. File
: O.cif. 
CENTAT: none
SIMPLIG: ZA=C6H4 ZB=C12H6N ZC=C4O8Cu2
SIMPP
AR: METH=Stand; INTRA=V; INTER=H| 
;
loop_
_publ_author_name
'Krause S.'
'Bon V.'
'Senkovska I.'
'Stoeck U.'
'Wallacher D.'
'Tobbens D.M.'
'Zander S.'
'Pillai R.S.'
'Maurin G.'
'Coudert F.-X.'
'Kaskel S.'
_cell_length_a                      46.4274
_cell_length_b                      46.4274
_cell_length_c                      46.4274
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        100074.4
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'F 2 3'
_symmetry_Int_Tables_number         196
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 x,1/2+y,1/2+z
14 1/2+x,y,1/2+z
15 1/2+x,1/2+y,z
16 -x,1/2-y,1/2+z
17 1/2-x,-y,1/2+z
18 1/2-x,1/2-y,z
19 x,1/2-y,1/2-z
20 1/2+x,-y,1/2-z
21 1/2+x,1/2-y,-z
22 -x,1/2+y,1/2-z
23 1/2-x,y,1/2-z
24 1/2-x,1/2+y,-z
25 z,1/2+x,1/2+y
26 1/2+z,x,1/2+y
27 1/2+z,1/2+x,y
28 y,1/2+z,1/2+x
29 1/2+y,z,1/2+x
30 1/2+y,1/2+z,x
31 -z,1/2-x,1/2+y
32 1/2-z,-x,1/2+y
33 1/2-z,1/2-x,y
34 -y,1/2+z,1/2-x
35 1/2-y,z,1/2-x
36 1/2-y,1/2+z,-x
37 z,1/2-x,1/2-y
38 1/2+z,-x,1/2-y
39 1/2+z,1/2-x,-y
40 -y,1/2-z,1/2+x
41 1/2-y,-z,1/2+x
42 1/2-y,1/2-z,x
43 -z,1/2+x,1/2-y
44 1/2-z,x,1/2-y
45 1/2-z,1/2+x,-y
46 y,1/2-z,1/2-x
47 1/2+y,-z,1/2-x
48 1/2+y,1/2-z,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
ZB1 ZB 48 0.50194 0.35241 0.14682 1.0000
ZC1 ZC 24 0.50000 0.50000 0.17154 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
ZB1 ZB1 13.4987 1 0 0 0 19 0 0 0 v 24
ZB1 ZC1 6.9482 1 0 0 0 1 0 0 0 v 48
ZB1 ZC1 6.9073 1 0 0 0 40 1 0 -1 v 48
#End of data_0-TOPOS_OKUSOE_tfb;sqc7391