data_0-TOPOS_VEGMOK04_bcg;bct-8-Cccm
_database_code_CSD                  VEGMOK04
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        bcg;bct-8-Cccm
_chemical_name_systematic
;
catena-(bis(diethylammonium)(\m~4~-1,4-benzenedicarboxylato-O,O,O'O')
-bis(\m~4~-1,4-benzenedicarboxylato-O,O',O''O''')-(\m~2~-1,4-benzened
icarboxylato-O,O')-tri-zinc(ii)N,N-diethylformamide solvate). 
;
_chemical_formula_sum               Mn0
_citation_journal_abbrev            'SOLID STATE SCIENCES'
_citation_year                      2006
_citation_journal_volume            8
_citation_page_first                363
_citation_special_details
;
Experiment details: One solvent molecule is partially disordered by s
ymmetry.. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C4H12N Ti=C
6H4 V=C5H11NO Cr=C6H10NO2 Mn=C4O10Zn3 Fe=CO| 
;
loop_
_publ_author_name
'Biemmi E.'
'Bein T.'
'Stock N.'
_cell_length_a                      33.3724
_cell_length_b                      9.8317
_cell_length_c                      18.1967
_cell_angle_alpha                   90
_cell_angle_beta                    92.455
_cell_angle_gamma                   90
_cell_volume                        5964.992
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'C 2/c'
_symmetry_Int_Tables_number         15
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+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 4 0.25000 0.75000 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
Mn1 Mn1 10.3414 1 0 0 0 4 0 2 -1 v 8
Mn1 Mn1 17.3953 1 0 0 0 3 0 1 0 v 4
Mn1 Mn1 9.8317 1 0 0 0 1 0 1 0 v 4
#End of data_0-TOPOS_VEGMOK04_bcg;bct-8-Cccm