data_0-TOPOS_WIZNOK_sqc104
_database_code_CSD                  WIZNOK
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc104
_chemical_name_systematic
;
2,2',2''-(Ethane-1,1,1-triyltris(4,1-phenyleneoxy))tripyrazine. 
;
_chemical_formula_sum               ZA0
_citation_journal_abbrev            INORG.CHIM.ACTA
_citation_year                      2014
_citation_journal_volume            413
_citation_page_first                160
_citation_special_details
;
File: search24.cif. 
CENTAT: Sc1
SIMPLIG: ZA=Sc
SIMPPAR: METH=Stan
d; INTRA=V| 
;
loop_
_publ_author_name
'Cottam J.R.A.'
'Steel P.J.'
_cell_length_a                      10.1019
_cell_length_b                      12.0338
_cell_length_c                      12.9231
_cell_angle_alpha                   103.604
_cell_angle_beta                    109.209
_cell_angle_gamma                   108.662
_cell_volume                        1299.757
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_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
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
ZA1 ZA 2 0.91523 0.52293 0.45258 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
ZA1 ZA1 13.0024 1 0 0 0 1 1 1 0 v 2
ZA1 ZA1 11.6770 1 0 0 0 2 3 1 1 v 1
ZA1 ZA1 10.1019 1 0 0 0 1 -1 0 0 v 2
ZA1 ZA1 2.0692 1 0 0 0 2 2 1 1 v 1
ZA1 ZA1 12.2809 1 0 0 0 2 2 1 0 v 1
ZA1 ZA1 8.7354 1 0 0 0 2 1 1 1 v 1
#End of data_0-TOPOS_WIZNOK_sqc104