data_0-TOPOS_PEVZAT_sqc124
_database_code_CSD                  PEVZAT
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc124
_chemical_name_systematic
;
catena-[(\m~4~-2,3-dihydroxybutanedioato)-bis(\m~2~-4,4'-bipyridine)-
bis(\m~2~-fluoro)-di-cobalt(ii) heptahydrate]. 
;
_chemical_formula_sum               'Ti0 Co0'
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2013
_citation_journal_volume            15
_citation_page_first                3288
_citation_special_details
;
File: search24.cif. 
CENTAT: Co1
SIMPLIG: Sc=C10H8N2 Ti=C4H4O6| 
;
loop_
_publ_author_name
'Guangju ZHANG'
'Hailiang HU'
'Hao LI'
'Fangfang ZHAO'
'Yang LIU'
'Xiaodie HE'
'Hui HUANG'
'Yan XU'
'Ying WEI'
'Zhenhui KANG'
_cell_length_a                      17.795
_cell_length_b                      7.3167
_cell_length_c                      11.3957
_cell_angle_alpha                   90
_cell_angle_beta                    97.479
_cell_angle_gamma                   90
_cell_volume                        1471.105
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'C 2'
_symmetry_Int_Tables_number         5
_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
3 1/2+x,1/2+y,z
4 1/2-x,1/2+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
Co1 Co 4 0.24885 0.19019 0.00350 1.0000
Ti1 Ti 2 0.00000 0.47425 0.00000 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
Co1 Ti1 4.8872 1 0 0 0 1 0 0 0 v 4
Co1 Co1 3.6596 1 0 0 0 4 0 -1 0 v 4
Co1 Co1 11.3957 1 0 0 0 1 0 0 1 v 4
Ti1 Co1 4.7453 1 0 0 0 4 0 0 0 v 4
#End of data_0-TOPOS_PEVZAT_sqc124