data_0-TOPOS_CONCAL_14T5 _database_code_CSD CONCAL _audit_creation_date 12/23/2020 _audit_creation_method ToposPro _chemical_formula_structural 14T5 _chemical_name_systematic ; 4-methyl-N-(1-(2-(4-methylbenzylidene)-1-phenylhydrazino)-2-phenyleth ylidene)benzenesulfonamide. ; _chemical_formula_sum ZA0 _citation_journal_abbrev 'PRIVATE COMMUNICATION' _citation_year 2014 _citation_special_details ; File: search24.cif. CENTAT: Sc1 SIMPLIG: ZA=Sc SIMPPAR: METH=Stan d; INTRA=V| ; loop_ _publ_author_name 'Mahendran V.' 'Sivakumar S.' _cell_length_a 13.051 _cell_length_b 12.003 _cell_length_c 17.439 _cell_angle_alpha 90 _cell_angle_beta 111.47 _cell_angle_gamma 90 _cell_volume 2542.275 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P 21/n' _symmetry_Int_Tables_number 14 _refine_ls_R_factor_all 0 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2-x,1/2+y,1/2-z 3 -x,-y,-z 4 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 ZA1 ZA 4 0.41978 0.98347 0.16024 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 10.4102 1 0 0 0 4 0 1 0 v 4 ZA1 ZA1 10.0181 1 0 0 0 2 1 0 0 v 4 ZA1 ZA1 10.8581 1 0 0 0 4 0 2 0 v 4 ZA1 ZA1 10.3258 1 0 0 0 3 0 2 0 v 2 ZA1 ZA1 8.6956 1 0 0 0 2 0 -1 0 v 4 ZA1 ZA1 13.3750 1 0 0 0 3 1 1 0 v 2 ZA1 ZA1 12.0030 1 0 0 0 1 0 -1 0 v 4 ZA1 ZA1 6.6591 1 0 0 0 3 1 2 0 v 2 ZA1 ZA1 11.2607 1 0 0 0 3 1 2 1 v 2 #End of data_0-TOPOS_CONCAL_14T5