Information card for entry 4321936

Structure parameters

• Formula: C32 H50 Cu3 N6 O23
• Calculated formula: C32 H28 Cu3 N6 O23
• Title of publication: Solids with Rhombic Channels: Syntheses and Crystal Structures of [Cu3(NTA)2(4,4'-bpy)2(H2O)2].9H2O and [{Cu(4,4'-bpy)(H2O)4}{Cu2(NTA)2(4,4'-bpy)}]. 7H2O (NTA = Nitrilotriacetate, 4,4'-bpy = 4,4'-Bipyridine)
• Authors of publication: Quanming Wang; Xintao Wu; Wenjian Zhang; Tianlu Sheng; Ping Lin; Jianmin Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2223 - 2226
• a: 16.8055 ± 0.0003 Å
• b: 23.7656 ± 0.0001 Å
• c: 11.1653 ± 0.0002 Å
• α: 90°
• β: 102.227 ± 0.001°
• γ: 90°
• Cell volume: 4358.19 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.2007
• Weighted residual factors for significantly intense reflections: 0.1668
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No