data_0-TOPOS_SARTIR_sqc493
_database_code_CSD                  SARTIR
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc493
_chemical_name_systematic
;
catena-[(\m-1,4-diazabicyclo[2.2.2]octane)-bis(\m-naphthalene-2,6-dic
arboxylato)-di-nickel ethene]. 
;
_chemical_formula_sum               'ZA0 ZD0'
_citation_journal_abbrev            'CSD Communication(Private Communication)'
_citation_year                      2017
_citation_special_details
;
Experiment details: powder data. File: S.cif. 
CENTAT: Ni1 Ni2
SIMP
LIG: ZA=C12H6O4 ZB=C6H12N2 ZC=C2H4 ZD=Ni
SIMPPAR: METH=Stand; INTRA=
V| 
;
loop_
_publ_author_name
'Bon V.'
'Senkovska I.'
'Kaskel S.'
_cell_length_a                      9.6116
_cell_length_b                      11.2542
_cell_length_c                      12.5565
_cell_angle_alpha                   103.5025
_cell_angle_beta                    94.5298
_cell_angle_gamma                   98.3272
_cell_volume                        1297.77
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,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
ZD2 ZD 1 0.90232 0.32040 0.40886 1.0000
ZD1 ZD 1 0.19479 0.30318 0.41321 1.0000
ZA1 ZA 1 0.06304 0.31518 0.91573 1.0000
ZA2 ZA 1 0.03708 0.81507 0.42832 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
ZD2 ZA2 6.0673 1 0 0 0 1 1 -1 0 v 1
ZD2 ZA1 6.4883 1 0 0 0 1 1 0 -1 v 1
ZD2 ZA2 5.4733 1 0 0 0 1 1 0 0 v 1
ZD2 ZA1 6.4455 1 0 0 0 1 1 0 0 v 1
ZD2 ZD1 2.8428 1 0 0 0 1 1 0 0 v 1
ZD2 ZD1 6.7801 1 0 0 0 1 0 0 0 v 1
ZD1 ZA1 6.3116 1 0 0 0 1 0 0 -1 v 1
ZD1 ZA1 6.5077 1 0 0 0 1 0 0 0 v 1
ZD1 ZA2 5.5344 1 0 0 0 1 0 -1 0 v 1
ZD1 ZA2 6.1308 1 0 0 0 1 0 0 0 v 1
#End of data_0-TOPOS_SARTIR_sqc493