Information card for entry 4115134

Structure parameters

• Formula: C114 H184 N30 Ni6 O28
• Calculated formula: C114 H166 N30 Ni6 O28
• 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: 12.382 ± 0.002 Å
• b: 16.375 ± 0.003 Å
• c: 19.952 ± 0.004 Å
• α: 74.505 ± 0.007°
• β: 89.255 ± 0.009°
• γ: 84.184 ± 0.005°
• Cell volume: 3877.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2965
• Residual factor for significantly intense reflections: 0.1491
• Weighted residual factors for significantly intense reflections: 0.3791
• Weighted residual factors for all reflections included in the refinement: 0.4548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No