data_0-TOPOS_YICRAF_sqc496
_database_code_CSD                  YICRAF
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc496
_chemical_name_systematic
;
catena-[(\m~7~-Biphenyl-2,4,4',6-tetracarboxylato)-triaqua-di-cadmium
(ii)monohydrate]. 
;
_chemical_formula_sum               'Cr0 V0 Sc0'
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2013
_citation_journal_volume            15
_citation_page_first                4606
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C6H2 Ti=C6H4 V=C4H8O1
2Cd2 Cr=C4H4O10Cd2| 
;
loop_
_publ_author_name
'Xin-Hua LOU'
'Chen XU'
'Hong-Mei LI'
'Zhi-Qiang WANG'
'Hui GUO'
'Dong-Xu XUE'
_cell_length_a                      12.8567
_cell_length_b                      8.9378
_cell_length_c                      16.0555
_cell_angle_alpha                   90
_cell_angle_beta                    101.613
_cell_angle_gamma                   90
_cell_volume                        1807.181
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 2/c'
_symmetry_Int_Tables_number         13
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
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
Sc1 Sc 4 0.82543 0.15736 0.65924 1.0000
V1 V 2 0.50000 0.50000 0.50000 1.0000
Cr1 Cr 2 0.00000 0.50000 0.50000 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
Sc1 Cr1 4.8231 1 0 0 0 1 1 0 0 v 4
Sc1 V1 7.3658 1 0 0 0 1 0 -1 0 v 4
Sc1 Cr1 6.2773 1 0 0 0 2 1 0 1 v 4
Sc1 V1 9.5485 1 0 0 0 2 1 -1 1 v 4
V1 Cr1 6.4283 1 0 0 0 1 1 0 0 v 4
#End of data_0-TOPOS_YICRAF_sqc496