Information card for entry 4313607

Structure parameters

• Chemical name: [Cu(4)2](OAc)2-4(H2O)
• Formula: C34 H38 Cu N12 O8
• Calculated formula: C34 H38 Cu N12 O8
• Title of publication: Novel Metal-Organic Frameworks with Specific Topology from New Tripodal Ligands: 1,3,5-Tris(1-imidazolyl)benzene and 1,3-Bis(1-imidazolyl)-5-(imidazol-1-ylmethyl)benzene
• Authors of publication: Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Wen-Xia Tang; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3168 - 3175
• a: 8.2969 ± 0.0005 Å
• b: 12.2834 ± 0.0005 Å
• c: 17.4667 ± 0.0012 Å
• α: 90°
• β: 96.574 ± 0.001°
• γ: 90°
• Cell volume: 1768.4 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No