data_0-TOPOS_AQULIJ_sqc27
_database_code_CSD                  AQULIJ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc27
_chemical_name_systematic
;
catena-[(\m-4,4'-bipyridine)-bis(\m-5-(6-carboxylatopyridin-3-yl)isop
hthalato)-hexaaqua-tri-cobalt dihydrate]. 
;
_chemical_formula_sum               'ZD0 ZA0'
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2016
_citation_journal_volume            16
_citation_page_first                4658
_citation_special_details
;
File: A.cif. 
CENTAT: none
SIMPLIG: ZA=C14H10N2O10Co2 ZB=H2O ZC=H4O
2Co ZD=C6H3 ZE=C5H4N ZF=CO ZG=O
SIMPPAR: METH=Stand; INTRA=V; INTER=
H| 
;
loop_
_publ_author_name
'Jinzhong GU'
'Yanhui CUI'
'Xiaoxiao LIANG'
'Jiang WU'
'Dongyu LV'
'Kirillov A.M.'
_cell_length_a                      8.0089
_cell_length_b                      10.6038
_cell_length_c                      12.0363
_cell_angle_alpha                   110.668
_cell_angle_beta                    91.215
_cell_angle_gamma                   96.347
_cell_volume                        948.5363
_cell_formula_units_Z               1
_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
ZA1 ZA 1 0.50000 0.50000 0.50000 1.0000
ZD1 ZD 2 0.09143 0.34629 0.73590 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
ZA1 ZD1 6.1285 1 0 0 0 1 1 0 0 v 2
ZA1 ZA1 13.9771 1 0 0 0 1 -1 1 0 v 1
ZA1 ZD1 4.8895 1 0 0 0 2 1 1 1 v 2
ZD1 ZD1 11.2905 1 0 0 0 2 0 0 2 v 1
#End of data_0-TOPOS_AQULIJ_sqc27