data_0-TOPOS_LODKOG01_vmr;7/3/m4;tsi-7-P21/c
_database_code_CSD                  LODKOG01
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        vmr;7/3/m4;tsi-7-P21/c
_chemical_name_systematic
;
catena-[bis(\m~6~-1,1':2',1''-terphenyl-4,4',4'',5'-tetracarboxylato)
-(\m~2~-4,4'-bipyridine)-bis(\m~2~-aqua)-tetrakis(aqua)-tetra-cadmium
 dihydrate]. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            Z.ANORG.ALLG.CHEM.
_citation_year                      2014
_citation_journal_volume            640
_citation_page_first                1782
_citation_special_details
;
Experiment details: O10 and O11 disordered over two sites with occupa
ncies 0.530:0.470.. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C
9H10O9Cd2 Ti=C6H4 V=C5H4N Cr=H2O Mn=CO| 
;
loop_
_publ_author_name
'Siyuan CHANG'
'Jianwei CAO'
'Houting LIU'
'Xiaoting QIN'
'Yanfei GAO'
'Yanqin WANG'
'Zhiliang LIU'
_cell_length_a                      16.9895
_cell_length_b                      8.5526
_cell_length_c                      23.5509
_cell_angle_alpha                   90
_cell_angle_beta                    127.455
_cell_angle_gamma                   90
_cell_volume                        2716.529
_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
Sc1 Sc 4 0.26683 0.60354 0.64549 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
Sc1 Sc1 13.3794 1 0 0 0 2 0 0 1 v 4
Sc1 Sc1 13.5583 1 0 0 0 3 1 1 2 v 2
Sc1 Sc1 13.2375 1 0 0 0 4 0 0 -1 v 4
Sc1 Sc1 7.6063 1 0 0 0 2 1 0 1 v 4
#End of data_0-TOPOS_LODKOG01_vmr;7/3/m4;tsi-7-P21/c