data_0-TOPOS_MIJBAK_xah;sqc320 _database_code_CSD MIJBAK _audit_creation_date 12/23/2020 _audit_creation_method ToposPro _chemical_formula_structural xah;sqc320 _chemical_name_systematic ; catena-[bis(\m~4~-Glutarato)-(\m~2~-4,4'-propane-1,3-diyldipyridine)- di-copperunknown solvate]. ; _chemical_formula_sum 'Ti0 Cu0' _citation_journal_abbrev CHEM.COMMUN. _citation_year 2013 _citation_journal_volume 49 _citation_page_first 11329 _citation_special_details ; Experiment details: Disordered solvent molecules were not modelled an d the disordered density wastaken into account using the SQUEEZE/PLAT ON procedure.. File: search24.cif. CENTAT: Cu1 SIMPLIG: Sc=C13H14N 2 Ti=C5H6O4| ; loop_ _publ_author_name 'Seco J.M.' 'Fairen-Jimenez D.' 'Calahorro A.J.' 'Mendez-Linan L.' 'Perez-Mendoza M.' 'Casati N.' 'Colacio E.' 'Rodriguez-Dieguez A.' _cell_length_a 28.265 _cell_length_b 13.127 _cell_length_c 8.729 _cell_angle_alpha 90 _cell_angle_beta 106.779 _cell_angle_gamma 90 _cell_volume 3100.872 _cell_formula_units_Z 8 _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 Cu1 Cu 8 0.29007 0.20364 0.08704 1.0000 Ti1 Ti 8 0.20840 0.91733 0.82237 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 Ti1 4.5532 1 0 0 0 6 0 -1 0 v 8 Cu1 Ti1 4.6597 1 0 0 0 1 0 -1 -1 v 8 Cu1 Ti1 5.0362 1 0 0 0 7 0 1 1 v 8 Cu1 Cu1 13.9817 1 0 0 0 2 1 0 1 v 4 Cu1 Ti1 3.8481 1 0 0 0 4 0 1 -1 v 8 #End of data_0-TOPOS_MIJBAK_xah;sqc320