data_0-TOPOS_CUZNUH01_sqc55
_database_code_CSD                  CUZNUH01
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc55
_chemical_name_systematic
;
catena-(tris(\m~2~-Terephthalato)-tetrakis(\m~2~-1,1'-(1,4-phenyleneb
is(methylene))bis(1H-1,2,4-triazole))-tetraaqua-tri-cobalt(ii)). 
;
_chemical_formula_sum               Co0
_citation_journal_abbrev            Koord.Khim.(Russ.)(Coord.Chem.)
_citation_year                      2011
_citation_journal_volume            37
_citation_page_first                203
_citation_special_details
;
File: search24.cif. 
CENTAT: Co1 Co2
SIMPLIG: Sc=C8H4O4 Ti=C12H12N6
 V=H2O| 
;
loop_
_publ_author_name
'Liu G.X.'
'Xu X.L.'
'Xu Y.Y.'
'Nishihara S.'
'Ren X.M.'
_cell_length_a                      9.492
_cell_length_b                      11.421
_cell_length_c                      17.234
_cell_angle_alpha                   79.649
_cell_angle_beta                    81.38
_cell_angle_gamma                   83.438
_cell_volume                        1809.796
_cell_formula_units_Z               3
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_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
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
Co2 Co 2 0.61234 0.62766 0.85840 1.0000
Co1 Co 1 0.00000 0.00000 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
Co2 Co2 13.7951 1 0 0 0 2 2 2 2 v 1
Co2 Co2 11.4210 1 0 0 0 1 0 1 0 v 2
Co1 Co1 11.4210 1 0 0 0 1 0 -1 0 v 1
Co1 Co1 13.9914 1 0 0 0 1 -1 1 0 v 1
Co1 Co2 12.6300 1 0 0 0 2 0 0 1 v 2
#End of data_0-TOPOS_CUZNUH01_sqc55