data_0-TOPOS_ENCDBZ01_cdq;sqc422
_database_code_CSD                  ENCDBZ01
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        cdq;sqc422
_chemical_name_systematic
;
catena-(\m~2~-Ethylenediamine-N,N')-cadmium(ii)-tetrakis(\m~2~-cyano)
-cadmium(ii) benzene clathrate. 
;
_chemical_formula_sum               Cd0
_citation_journal_abbrev            'J.Inclusion Phenom.Mol.Recog.Chem.'
_citation_year                      1985
_citation_journal_volume            3
_citation_page_first                283
_citation_special_details
;
Experiment details: The study was carried out at room temperature,in 
the range 283-303K. Experiment details: The ethylenediamine ligand ce
ntered at 0,0,0 is disordered. The benzenesolvent located in the beta
-cavity centered at 0,0,1/4 is disordered. Nocoord. have been retaine
d for the latter.. File: search24.cif. 
CENTAT: Cd1 Cd2
SIMPLIG: Sc
=C2H16N4 Ti=C6H6 V=CN| 
;
loop_
_publ_author_name
'Nishikiori S.-I.'
'Iwamoto T.'
_cell_length_a                      8.265
_cell_length_b                      8.265
_cell_length_c                      15.512
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1059.628
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 42 2 2'
_symmetry_Int_Tables_number         93
_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 -y,-x,1/2-z
6 y,x,1/2-z
7 y,-x,1/2+z
8 -y,x,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
Cd1 Cd 2 0.50000 0.50000 0.25000 1.0000
Cd2 Cd 2 0.50000 0.00000 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
Cd1 Cd2 5.6671 1 0 0 0 1 0 1 0 v 8
Cd2 Cd2 8.2650 1 0 0 0 1 1 0 0 v 2
#End of data_0-TOPOS_ENCDBZ01_cdq;sqc422