data_0-TOPOS_SUPQAW_cab;5/3/c3;sqc1568 _database_code_CSD SUPQAW _audit_creation_date 9/7/2021 _audit_creation_method ToposPro _chemical_formula_structural cab;5/3/c3;sqc1568 _chemical_name_systematic ; catena-[tetrakis(\m~4~-9H-Carbazole-3,6-dicarboxylato-O,O',O'',O''')- (\m~2~-4, 4'-bipyridine-N,N')-diaqua-tetra-copper unknown solvate]. ; _chemical_formula_sum V0 _citation_journal_abbrev J.AM.CHEM.SOC. _citation_year 2009 _citation_journal_volume 131 _citation_page_first 6368 _citation_special_details ; Experiment details: air-sensitiveThe authors state the framework adop ts an augmented pcu (pcu-a) topology. Experiment details: The 4,4'-bi pyridine ligand is disordered by symmetry. The framework containsfree solvent molecules that were highly disordered and could not be locat edfrom the diffraction data. The SQUEEZE/PLATON routine has been used to modelthe diffuse electron density, but number of electrons modell ed has not beengiven. The crystallisation solvent is said to be volat ile, which preventaccurate determination of the stoichiometry.. File: search24.cif. CENTAT: none SIMPLIG: Sc=C12H7N Ti=C9H8N V=C4H4O9Cu 2| ; loop_ _publ_author_name 'Jian-Rong LI' 'Timmons D.J.' 'Hong-Cai ZHOU' _cell_length_a 30.5521 _cell_length_b 30.5521 _cell_length_c 30.5521 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 28518.27 _cell_formula_units_Z 12 _symmetry_space_group_name_H-M 'I m -3 m' _symmetry_Int_Tables_number 229 _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 3 x,-y,-z 4 -x,y,-z 5 z,x,y 6 y,z,x 7 -z,-x,y 8 -y,z,-x 9 z,-x,-y 10 -y,-z,x 11 -z,x,-y 12 y,-z,-x 13 -y,-x,-z 14 y,x,-z 15 y,-x,z 16 -y,x,z 17 -x,-z,-y 18 -z,-y,-x 19 x,z,-y 20 -z,y,x 21 x,-z,y 22 z,y,-x 23 -x,z,y 24 z,-y,x 25 -x,-y,-z 26 x,y,-z 27 -x,y,z 28 x,-y,z 29 -z,-x,-y 30 -y,-z,-x 31 z,x,-y 32 y,-z,x 33 -z,x,y 34 y,z,-x 35 z,-x,y 36 -y,z,x 37 y,x,z 38 -y,-x,z 39 -y,x,-z 40 y,-x,-z 41 x,z,y 42 z,y,x 43 -x,-z,y 44 z,-y,-x 45 -x,z,-y 46 -z,-y,x 47 x,-z,-y 48 -z,y,-x 49 1/2+x,1/2+y,1/2+z 50 1/2-x,1/2-y,1/2+z 51 1/2+x,1/2-y,1/2-z 52 1/2-x,1/2+y,1/2-z 53 1/2+z,1/2+x,1/2+y 54 1/2+y,1/2+z,1/2+x 55 1/2-z,1/2-x,1/2+y 56 1/2-y,1/2+z,1/2-x 57 1/2+z,1/2-x,1/2-y 58 1/2-y,1/2-z,1/2+x 59 1/2-z,1/2+x,1/2-y 60 1/2+y,1/2-z,1/2-x 61 1/2-y,1/2-x,1/2-z 62 1/2+y,1/2+x,1/2-z 63 1/2+y,1/2-x,1/2+z 64 1/2-y,1/2+x,1/2+z 65 1/2-x,1/2-z,1/2-y 66 1/2-z,1/2-y,1/2-x 67 1/2+x,1/2+z,1/2-y 68 1/2-z,1/2+y,1/2+x 69 1/2+x,1/2-z,1/2+y 70 1/2+z,1/2+y,1/2-x 71 1/2-x,1/2+z,1/2+y 72 1/2+z,1/2-y,1/2+x 73 1/2-x,1/2-y,1/2-z 74 1/2+x,1/2+y,1/2-z 75 1/2-x,1/2+y,1/2+z 76 1/2+x,1/2-y,1/2+z 77 1/2-z,1/2-x,1/2-y 78 1/2-y,1/2-z,1/2-x 79 1/2+z,1/2+x,1/2-y 80 1/2+y,1/2-z,1/2+x 81 1/2-z,1/2+x,1/2+y 82 1/2+y,1/2+z,1/2-x 83 1/2+z,1/2-x,1/2+y 84 1/2-y,1/2+z,1/2+x 85 1/2+y,1/2+x,1/2+z 86 1/2-y,1/2-x,1/2+z 87 1/2-y,1/2+x,1/2-z 88 1/2+y,1/2-x,1/2-z 89 1/2+x,1/2+z,1/2+y 90 1/2+z,1/2+y,1/2+x 91 1/2-x,1/2-z,1/2+y 92 1/2+z,1/2-y,1/2-x 93 1/2-x,1/2+z,1/2-y 94 1/2-z,1/2-y,1/2+x 95 1/2+x,1/2-z,1/2-y 96 1/2-z,1/2+y,1/2-x 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 V1 V 12 0.00000 0.26431 0.00000 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 V1 V1 11.4202 1 0 0 0 5 0 0 0 v 24 V1 V1 14.4015 1 0 0 0 2 0 1 0 v 6 #End of data_0-TOPOS_SUPQAW_cab;5/3/c3;sqc1568