data_0-TOPOS_BUYHIN_sqc326
_database_code_CSD                  BUYHIN
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc326
_chemical_name_systematic
;
catena-(bis(\m~3~-N-(Diphosphonomethyl)cyclohexanammonium)-bis(\m~2~-
N-(diphosphonomethyl)cyclohexanammonium)-(\m~2~-4,4'-bipyridine)-diaq
ua-tetra-cobalt). 
;
_chemical_formula_sum               'Co0 Ti0'
_citation_journal_abbrev            'J.SOLID STATE CHEM.'
_citation_year                      2010
_citation_journal_volume            183
_citation_page_first                1588
_citation_special_details
;
File: search24.cif. 
CENTAT: Co1 Co2
SIMPLIG: Sc=H2O Ti=C7H15NO6P2 
V=C10H8N2| 
;
loop_
_publ_author_name
'Yan-Hui SU'
'Deng-Ke CAO'
'Yan DUAN'
'Yi-Zhi LI'
'Li-Min ZHENG'
_cell_length_a                      5.6298
_cell_length_b                      18.673
_cell_length_c                      27.932
_cell_angle_alpha                   90
_cell_angle_beta                    100.98
_cell_angle_gamma                   90
_cell_volume                        2882.605
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-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 4 0.77892 0.27480 0.81848 1.0000
Co2 Co 4 0.48878 0.41256 0.69720 1.0000
Co1 Co 4 0.32350 0.17599 0.75072 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 Co1 4.3124 1 0 0 0 1 1 0 0 v 4
Ti1 Co2 4.3190 1 0 0 0 1 0 0 0 v 4
Ti1 Co1 3.4222 1 0 0 0 1 0 0 0 v 4
Co2 Co2 11.5139 1 0 0 0 3 1 1 1 v 2
Co2 Co1 5.1811 1 0 0 0 2 1 0 1 v 4
#End of data_0-TOPOS_BUYHIN_sqc326