data_0-TOPOS_NOPJUZ_cdz;sqc30
_database_code_CSD                  NOPJUZ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        cdz;sqc30
_chemical_name_systematic
;
catena-(tetrakis(\m~2~-4,4'-Bipyridine)-bis(\m~2~-4-(4-carboxylatophe
noxy)phthalato)-hexa-aqua-tri-nickel hexahydrate). 
;
_chemical_formula_sum               Ni0
_citation_journal_abbrev            Inorg.Chem.Commun.
_citation_year                      2014
_citation_journal_volume            46
_citation_page_first                329
_citation_special_details
;
File: search24.cif. 
CENTAT: Ni1 Ni2
SIMPLIG: Sc=C10H8N2 Ti=C15H7O7
 V=HO Cr=H2O| 
;
loop_
_publ_author_name
'Zhao JIN'
'Huanyu ZHAO'
'Xiaojun ZHAO'
'Xiangdong YAO'
'Guangshan ZHU'
_cell_length_a                      9.3359
_cell_length_b                      11.2684
_cell_length_c                      18.8508
_cell_angle_alpha                   79.415
_cell_angle_beta                    79.414
_cell_angle_gamma                   66.27
_cell_volume                        1771.224
_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
Ni2 Ni 2 0.39383 0.68733 0.78361 1.0000
Ni1 Ni 1 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
Ni2 Ni2 11.3466 1 0 0 0 2 0 1 2 v 1
Ni2 Ni2 11.3783 1 0 0 0 1 -1 1 0 v 2
Ni1 Ni1 11.2684 1 0 0 0 1 0 -1 0 v 1
Ni1 Ni2 15.0614 1 0 0 0 2 1 1 2 v 2
#End of data_0-TOPOS_NOPJUZ_cdz;sqc30