Information card for entry 4102653

Structure parameters

• Common name: IRMOF-76
• Formula: C69 H45 N6 O13 Zn4
• Calculated formula: C69 H51 N6 O13 Zn4
• Title of publication: A Metal-Organic Framework with Covalently Bound Organometallic Complexes
• Authors of publication: Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9262 - 9264
• a: 42.9245 ± 0.0002 Å
• b: 42.9245 ± 0.0002 Å
• c: 42.9245 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 79088.9 ± 0.6 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1669
• Residual factor for significantly intense reflections: 0.1465
• Weighted residual factors for significantly intense reflections: 0.4135
• Weighted residual factors for all reflections included in the refinement: 0.4378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.941
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No