data_0-TOPOS_RETBID_8T9
_database_code_CSD                  RETBID
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        8T9
_chemical_name_systematic
;
catena-(tris(\m~4~-terephthalato)-(\m~2~-1,1'-butane-1,4-diylbis(2-(p
yridin-3-yl)-1H-benzimidazole))-tri-zinc dihydrate). 
;
_chemical_formula_sum               Mn0
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2013
_citation_journal_volume            15
_citation_page_first                2699
_citation_special_details
;
Experiment details: N3' and N3 disordered over two sites with occupan
cies 0.61:0.39.. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C6H4
 Ti=C12H8N4 V=CH2 Cr=HO Mn=C4O10Zn3 Fe=CO| 
;
loop_
_publ_author_name
'Hai-Yan LIU'
'Jian-Fang MA'
'Ying-Ying LIU'
'Jin YANG'
_cell_length_a                      15.1367
_cell_length_b                      9.579
_cell_length_c                      18.531
_cell_angle_alpha                   90
_cell_angle_beta                    96.767
_cell_angle_gamma                   90
_cell_volume                        2668.174
_cell_formula_units_Z               2
_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
Mn1 Mn 2 0.50000 0.50000 0.50000 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
Mn1 Mn1 10.4302 1 0 0 0 2 1 0 0 v 4
Mn1 Mn1 9.5790 1 0 0 0 1 0 -1 0 v 2
Mn1 Mn1 17.9130 1 0 0 0 1 1 -1 0 v 2
#End of data_0-TOPOS_RETBID_8T9