data_0-TOPOS_CUHLEY_sqc962
_database_code_CSD                  CUHLEY
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc962
_chemical_name_systematic
;
catena-(tris(\m-bis[2-(1H-imidazol-1-yl)ethyl] ether)-cobalt(ii)diper
chlorate). 
;
_chemical_formula_sum               'ZB0 ZE0'
_citation_journal_abbrev            Chem.Lett.
_citation_year                      2015
_citation_journal_volume            44
_citation_page_first                1007
_citation_special_details
;
Experiment details: The structure is disordered.. File: C.cif. 
CENT
AT: none
SIMPLIG: ZA=C3H3N2 ZB=C4H8 ZC=O ZD=O7Cl ZE=Co
SIMPPAR: MET
H=Stand; INTRA=V; INTER=H| 
;
loop_
_publ_author_name
'Murakami A.'
'Yamanishi K.'
'Sone E.'
'Kondo M.'
_cell_length_a                      13.7773
_cell_length_b                      13.7773
_cell_length_c                      18.2177
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        2994.693
_cell_formula_units_Z               3
_symmetry_space_group_name_H-M      'R -3'
_symmetry_Int_Tables_number         148
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,-z
5 y,-x+y,-z
6 x-y,x,-z
7 2/3+x,1/3+y,1/3+z
8 1/3+x,2/3+y,2/3+z
9 2/3-y,1/3+x-y,1/3+z
10 1/3-y,2/3+x-y,2/3+z
11 2/3-x+y,1/3-x,1/3+z
12 1/3-x+y,2/3-x,2/3+z
13 2/3-x,1/3-y,1/3-z
14 1/3-x,2/3-y,2/3-z
15 2/3+y,1/3-x+y,1/3-z
16 1/3+y,2/3-x+y,2/3-z
17 2/3+x-y,1/3+x,1/3-z
18 1/3+x-y,2/3+x,2/3-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
ZE1 ZE 3 0.33333 0.66667 0.16667 1.0000
ZB1 ZB 18 0.05019 0.75853 0.96696 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
ZE1 ZB1 5.9155 1 0 0 0 1 0 0 -1 v 18
ZB1 ZB1 3.9110 1 0 0 0 5 -1 0 2 v 18
#End of data_0-TOPOS_CUHLEY_sqc962