Information card for entry 4327227

Structure parameters

• Formula: C20 H20 Co N6 O7
• Calculated formula: C20 H18 Co N6 O7
• 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: 8.5894 ± 0.0016 Å
• b: 10.0957 ± 0.0018 Å
• c: 13.979 ± 0.003 Å
• α: 81.271 ± 0.002°
• β: 78.165 ± 0.002°
• γ: 78.788 ± 0.002°
• Cell volume: 1155.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No