Information card for entry 4343341

Structure parameters

• Formula: C129 H239.5 N30.5 Ni4 O46
• Calculated formula: C62 H94 N14 Ni2 O12
• Title of publication: A Three-Dimensional Dynamic Metal-Organic Framework with Fourfold Interpenetrating Diamondoid Networks and Selective Adsorption Properties.
• Authors of publication: Ju, Ping; Jiang, Long; Lu, Tong-Bu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6291 - 6295
• a: 29.042 ± 0.003 Å
• b: 30.75 ± 0.005 Å
• c: 9.4483 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8438 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No