Information card for entry 4131031

Structure parameters

• Formula: C144 H72 Co3 Fe6 N12 O37
• Calculated formula: C144 H72 Co3 Fe6 N12 O37
• Title of publication: Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.
• Authors of publication: Liu, Qi; Cong, Hengjiang; Deng, Hexiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 42
• Pages of publication: 13822 - 13825
• a: 31.35 ± 0.002 Å
• b: 31.35 ± 0.002 Å
• c: 16.9103 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14393.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.2269
• Residual factor for significantly intense reflections: 0.1848
• Weighted residual factors for significantly intense reflections: 0.4234
• Weighted residual factors for all reflections included in the refinement: 0.4482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.708
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No