Information card for entry 4327228

Structure parameters

• Formula: C29 H41 N9 Ni O10
• Calculated formula: C29 H41 N9 Ni O10
• Title of publication: Molecular Tectonics of Mixed-Ligand Metal-Organic Frameworks: Positional Isomeric Effect, Metal-Directed Assembly, and Structural Diversification
• Authors of publication: Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3984 - 3995
• a: 10.105 ± 0.004 Å
• b: 28.745 ± 0.012 Å
• c: 13.072 ± 0.005 Å
• α: 90°
• β: 111.813 ± 0.006°
• γ: 90°
• Cell volume: 3525 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No