Information card for entry 4102654

Structure parameters

• Common name: IRMOF-77
• Formula: C84 H63 I6 N9 O30 Pd3 Zn4
• Calculated formula: C84 H63 I6 N9 O30 Pd3 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: 31.0845 ± 0.0004 Å
• b: 31.0845 ± 0.0004 Å
• c: 71.018 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 59427 ± 2 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2897
• Weighted residual factors for all reflections included in the refinement: 0.3399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No