data_0-TOPOS_LABSEO01_fsg;sqc10
_database_code_CSD                  LABSEO01
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        fsg;sqc10
_chemical_name_systematic
;
catena-(bis(\m~4~-5-Nitrobenzene-1,2,3-tricarboxylato)-tris(\m~2~-4,4
'-bipyridine)-diaqua-tri-cobalt dihydrate). 
;
_chemical_formula_sum               'Cr0 Ti0'
_citation_journal_abbrev            'Jiegou Huaxue(Chin.J.Struct.Chem.)'
_citation_year                      2011
_citation_journal_volume            30
_citation_page_first                995
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C5H4N Ti=C18H4N2O14Co
2 V=H2O Cr=H4O2Co| 
;
loop_
_publ_author_name
'Liang-Dong ZHANG'
'Li-Ming FAN'
'Guang-Zeng LIU'
'Pei-Haia WEI'
'Bin LI'
'Xiu-Tang ZHANG'
_cell_length_a                      13.0717
_cell_length_b                      11.4167
_cell_length_c                      15.9342
_cell_angle_alpha                   90
_cell_angle_beta                    90.519
_cell_angle_gamma                   90
_cell_volume                        2377.854
_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
Ti1 Ti 2 0.50000 0.56505 0.25000 1.0000
Cr1 Cr 2 0.00000 0.51151 0.25000 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
Ti1 Ti1 8.1044 1 0 0 0 3 1 1 0 v 2
Ti1 Cr1 6.5644 1 0 0 0 1 1 0 0 v 4
Ti1 Ti1 11.4167 1 0 0 0 1 0 1 0 v 2
Cr1 Cr1 11.4167 1 0 0 0 1 0 -1 0 v 2
#End of data_0-TOPOS_LABSEO01_fsg;sqc10