data_0-TOPOS_FEGNIQ_sqc1425
_database_code_CSD                  FEGNIQ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1425
_chemical_name_systematic
;
catena-(Dimethylammonium (\m~4~-benzene-1,3,5-tricarboxylato)-(\m~2~-
hydrogenbenzene-1,3,5-tricarboxylato)-(\m~2~-N^4^,N^4^-bis(3-pyridyl)
-1,1'-biphenyl-4, 4'-dicarboxamide)-di-zinc dimethylformamide solvate
 tetrahydrate). 
;
_chemical_formula_sum               'Cr0 C0 Zn0'
_citation_journal_abbrev            'DALTON TRANS.'
_citation_year                      2013
_citation_journal_volume            42
_citation_page_first                50
_citation_special_details
;
Experiment details: O11 disordered by symmetry over two sites with oc
cupancy 0.50. TheSQUEEZE/PLATON program was used to model the cation,
 one dimethylformamidesolvent molecule and the water molecules.. File
: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C6H4 Ti=C7H3O2 V=C5H4N Cr
=C6H3 Mn=C3H6NO2 Fe=HN Co=CO| 
;
loop_
_publ_author_name
'Yuan-Cheng QIN'
'Xue-Feng FENG'
'Feng LUO'
'Gong-Ming SUN'
'Yu-Mei SONG'
'Xiao-Zhao TIAN'
'Hai-Xiao HUANG'
'Yan ZHU'
'Zi-Jun YUAN'
'Ming-Biao LUO'
'Shu-Juan LIU'
'Wen-Yuan XU'
_cell_length_a                      13.0843
_cell_length_b                      25.4045
_cell_length_c                      16.3416
_cell_angle_alpha                   90
_cell_angle_beta                    93.974
_cell_angle_gamma                   90
_cell_volume                        5418.889
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'C 2/m'
_symmetry_Int_Tables_number         12
_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 -x,-y,-z
4 x,-y,z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,-z
7 1/2-x,1/2-y,-z
8 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
Zn1 Zn 8 0.15353 0.83879 0.14203 1.0000
C1 C 4 0.00000 0.84201 0.00000 1.0000
Cr1 Cr 4 0.00000 0.72835 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
Zn1 Zn1 21.3797 1 0 0 0 2 -1 0 1 v 4
Zn1 Zn1 8.1909 1 0 0 0 4 0 2 0 v 4
C1 Zn1 2.9636 1 0 0 0 2 0 0 0 v 8
C1 Cr1 2.8875 1 0 0 0 1 0 0 0 v 4
Cr1 Zn1 5.5050 1 0 0 0 8 -1 1 0 v 8
#End of data_0-TOPOS_FEGNIQ_sqc1425