Information card for entry 4115132

Structure parameters

• Formula: C72 H135 N18 Ni3 O30
• Calculated formula: C72 H99 N18 Ni3 O30
• 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: 16.505 Å
• b: 19.945 ± 0.001 Å
• c: 20.664 ± 0.001 Å
• α: 73.003 ± 0.001°
• β: 68.24 ± 0.001°
• γ: 76.073 ± 0.003°
• Cell volume: 5974.3 ± 0.4 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: 0.2077
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.3034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No