Information card for entry 4115133

Structure parameters

• Formula: C57 H114 N15 Ni3 O27
• Calculated formula: C57 H84 N15 Ni3 O27
• Title of publication: A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations
• Authors of publication: Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10976 - 10977
• a: 16.42 ± 0.001 Å
• b: 19.817 ± 0.002 Å
• c: 20.439 ± 0.002 Å
• α: 70.322 ± 0.004°
• β: 68.554 ± 0.005°
• γ: 76.193 ± 0.005°
• Cell volume: 5777.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3566
• Residual factor for significantly intense reflections: 0.1839
• Weighted residual factors for significantly intense reflections: 0.4194
• Weighted residual factors for all reflections included in the refinement: 0.5211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No