data_0-TOPOS_GUPBOJ01_ict;4/6/h10;sqc5580
_database_code_CSD                  GUPBOJ01
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        ict;4/6/h10;sqc5580
_chemical_name_systematic
;
catena-(dodecakis(\m~2~-2-Methylimidazolato)-hexa-cadmium). 
;
_chemical_formula_sum               Cd0
_citation_journal_abbrev            Chem.-Eur.J.
_citation_year                      2010
_citation_journal_volume            16
_citation_page_first                1137
_citation_special_details
;
Experiment details: P21/c polymorph. File: search24.cif. 
CENTAT: Cd
1 Cd2 Cd3 Cd4 Cd5 Cd6
SIMPLIG: Sc=C4H5N2| 
;
loop_
_publ_author_name
'Yun-Qi TIAN'
'Shi-Yan YAO'
'Dong GU'
'Ke-Hui CUI'
'Dong-Wei GUO'
'Gao ZHENG'
'Zhen-Xia CHEN'
'Dong-Yuan ZHAO'
_cell_length_a                      16.9693
_cell_length_b                      29.411
_cell_length_c                      14.6756
_cell_angle_alpha                   90
_cell_angle_beta                    103.622
_cell_angle_gamma                   90
_cell_volume                        7118.328
_cell_formula_units_Z               24
_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
Cd4 Cd 4 0.81648 0.01718 0.83986 1.0000
Cd3 Cd 4 0.71963 0.04867 0.22886 1.0000
Cd2 Cd 4 0.48471 0.39398 0.11140 1.0000
Cd1 Cd 4 0.42804 0.18476 0.19376 1.0000
Cd6 Cd 4 0.11339 0.15734 0.84824 1.0000
Cd5 Cd 4 0.07112 0.36912 0.91444 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
Cd4 Cd6 6.4885 1 0 0 0 1 1 0 0 v 4
Cd4 Cd2 6.3932 1 0 0 0 4 0 0 0 v 4
Cd4 Cd3 6.3693 1 0 0 0 1 0 0 1 v 4
Cd4 Cd5 6.3152 1 0 0 0 2 1 -1 1 v 4
Cd3 Cd5 6.4178 1 0 0 0 4 1 0 -1 v 4
Cd3 Cd2 6.4844 1 0 0 0 2 1 -1 0 v 4
Cd3 Cd1 6.2904 1 0 0 0 1 0 0 0 v 4
Cd2 Cd1 6.4092 1 0 0 0 4 0 0 -1 v 4
Cd2 Cd1 6.3873 1 0 0 0 1 0 0 0 v 4
Cd1 Cd6 6.4899 1 0 0 0 1 0 0 -1 v 4
Cd6 Cd5 6.3705 1 0 0 0 1 0 0 0 v 4
Cd6 Cd5 6.2848 1 0 0 0 4 0 0 -1 v 4
#End of data_0-TOPOS_GUPBOJ01_ict;4/6/h10;sqc5580