data_0-TOPOS_PAPJOH_cds-a
_database_code_CSD                  PAPJOH
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        cds-a
_chemical_name_systematic
;
catena-(bis(N-(2-aminoethyl)propane-1,3-diamine)-nickelheptakis(\m~2~
-sulfido)-tetra-antimony). 
;
_chemical_formula_sum               ZE0
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2011
_citation_journal_volume            11
_citation_page_first                5554
_citation_special_details
;
Experiment details: C1,C2,C3,C4,C5,N2 and C1',C2',C3',C4',C5', N2' di
sordered over two sites withoccupancies 0.85:0.15.. File: P.cif. 
CE
NTAT: Ni1 Sb1 Sb2
SIMPLIG: ZA=C10H29N4 ZB=H ZC=S ZD=Ni ZE=Sb
SIMPPA
R: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Seidhofer B.'
'Djamil J.'
'Nather C.'
'Bensch W.'
_cell_length_a                      14.3884
_cell_length_b                      12.1193
_cell_length_c                      16.1524
_cell_angle_alpha                   90
_cell_angle_beta                    94.175
_cell_angle_gamma                   90
_cell_volume                        2809.138
_cell_formula_units_Z               16
_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
ZE1 ZE 8 0.16423 0.63833 0.50745 1.0000
ZE2 ZE 8 0.01969 0.49008 0.63127 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 ZE1 3.6828 1 0 0 0 7 0 1 1 v 4
ZE1 ZE2 3.6853 1 0 0 0 3 0 1 1 v 8
ZE1 ZE2 3.4869 1 0 0 0 1 0 0 0 v 8
ZE2 ZE2 3.9179 1 0 0 0 2 0 0 1 v 4
#End of data_0-TOPOS_PAPJOH_cds-a