data_0-TOPOS_FAPYEA05_dia;4/6/c1;sqc6 _database_code_CSD FAPYEA05 _audit_creation_date 9/7/2021 _audit_creation_method ToposPro _chemical_formula_structural dia;4/6/c1;sqc6 _chemical_name_systematic ; catena-(bis(\m~2~-2,5-Dimethyl-N,N'-dicyanoquinonedi-imine)-copper). ; _chemical_formula_sum Cu0 _citation_journal_abbrev J.AM.CHEM.SOC. _citation_year 1993 _citation_journal_volume 115 _citation_page_first 7696 _citation_special_details ; Experiment details: Isomorphous with the deuterated analogues. File: search24.cif. CENTAT: Cu1 SIMPLIG: Sc=C10H8N4| ; loop_ _publ_author_name 'Sinzger K.' 'Hunig S.' 'Jopp M.' 'Bauer D.' 'Bietsch W.' 'Von SCHUTZJ.U.' 'Wolf H.C.' 'Kremer R.K.' 'Metzenthin T.' 'Bau R.' 'Khan S.I.' 'Lindbaum A.' 'Lengauer C.L.' 'Tillmanns E.' _cell_length_a 21.654 _cell_length_b 21.654 _cell_length_c 3.792 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1778.052 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I 41/a' _symmetry_Int_Tables_number 88 _refine_ls_R_factor_all 0 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2-y,z 3 3/4-y,1/4+x,1/4+z 4 1/4+y,1/4-x,1/4+z 5 -x,-y,-z 6 x,1/2+y,-z 7 3/4+y,1/4-x,1/4-z 8 1/4-y,1/4+x,1/4-z 9 1/2+x,1/2+y,1/2+z 10 1/2-x,-y,1/2+z 11 1/4-y,3/4+x,3/4+z 12 3/4+y,3/4-x,3/4+z 13 1/2-x,1/2-y,1/2-z 14 1/2+x,y,1/2-z 15 1/4+y,3/4-x,3/4-z 16 3/4-y,3/4+x,3/4-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 Cu1 Cu 4 0.00000 0.25000 0.62500 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 Cu1 Cu1 12.6988 1 0 0 0 5 0 0 3 v 8 #End of data_0-TOPOS_FAPYEA05_dia;4/6/c1;sqc6