data_0-TOPOS_WUDNAK_sqc164
_database_code_CSD                  WUDNAK
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc164
_chemical_name_systematic
;
catena-[bis(\m~3~-Citrato)-bis(\m~2~-4,4'-bipyridyl)-diaqua-bis(4,4'-
bipyridyl)-tri-cobalt(ii) tetrahydrate clathrate]. 
;
_chemical_formula_sum               'Co0 Ti0'
_citation_journal_abbrev            Inorg.Chem.Commun.
_citation_year                      2002
_citation_journal_volume            5
_citation_page_first                761
_citation_special_details
;
File: search24.cif. 
CENTAT: Co1 Co2
SIMPLIG: Sc=C10H8N2 Ti=C6H5O7 
V=H2O| 
;
loop_
_publ_author_name
'Ju-Hsiou LIAO'
'Shi-Hao CHENG'
'Ching-Ting SU'
_cell_length_a                      10.85
_cell_length_b                      11.534
_cell_length_c                      13.608
_cell_angle_alpha                   66.17
_cell_angle_beta                    81.4
_cell_angle_gamma                   63.15
_cell_volume                        1388.704
_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
Ti1 Ti 2 0.56967 0.16736 0.06061 1.0000
Co1 Co 2 0.55792 0.92485 0.20822 1.0000
Co2 Co 1 0.00000 0.00000 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
Ti1 Co1 2.7532 1 0 0 0 1 0 -1 0 v 2
Ti1 Co1 4.7348 1 0 0 0 2 1 1 0 v 2
Ti1 Co2 4.2661 1 0 0 0 1 1 0 0 v 2
Co1 Co1 11.2297 1 0 0 0 2 2 1 1 v 1
Co2 Co2 11.5340 1 0 0 0 1 0 -1 0 v 1
#End of data_0-TOPOS_WUDNAK_sqc164