data_0-TOPOS_DEJROB_pcb;4/4/c2;sqc2201;ACO
_database_code_CSD                  DEJROB
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        pcb;4/4/c2;sqc2201;ACO
_chemical_name_systematic
;
catena-[(\m~4~-tetrakis(1H-Imidazol-1-yl)borate)-(acetato-O,O')-cobal
t(ii)N,N-dimethylformamide solvate]. 
;
_chemical_formula_sum               'Co0 Sc0'
_citation_journal_abbrev            Chem.-Eur.J.
_citation_year                      2012
_citation_journal_volume            18
_citation_page_first                11876
_citation_special_details
;
Experiment details: Disordered N,N-dimethylformamide solvent molecule
s were not modelled and thedisordered density was taken into account 
using the SQUEEZE/PLATON procedure. The unit cell was found to contai
n a total void space of 1612 A$3! holding398 electrons.. File: search
24.cif. 
CENTAT: Co1
SIMPLIG: Sc=C12H12N8B Ti=C2H3O2| 
;
loop_
_publ_author_name
'Fei WANG'
'Yu-Bo SHU'
'Xianhui BU'
'Jian ZHANG'
_cell_length_a                      13.2281
_cell_length_b                      20.861
_cell_length_c                      16.773
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4628.533
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'I 2 2 2'
_symmetry_Int_Tables_number         23
_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,1/2+z
6 1/2-x,1/2-y,1/2+z
7 1/2+x,1/2-y,1/2-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
Sc1 Sc 8 0.70293 0.63005 0.84846 1.0000
Co1 Co 8 0.27535 0.64143 0.81711 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 Co1 5.6950 1 0 0 0 2 1 1 0 v 8
Sc1 Co1 5.5995 1 0 0 0 7 0 1 1 v 8
Sc1 Co1 5.6855 1 0 0 0 1 0 0 0 v 8
Sc1 Co1 5.6218 1 0 0 0 4 1 0 2 v 8
#End of data_0-TOPOS_DEJROB_pcb;4/4/c2;sqc2201;ACO