Information card for entry 7107939

Structure parameters

• Formula: C84 H62 Cd3 N2 O17
• Calculated formula: C84 H56 Cd3 N2 O17
• Title of publication: A robust doubly interpenetrated metal-organic framework constructed from a novel aromatic tricarboxylate for highly selective separation of small hydrocarbons
• Authors of publication: Yabing He; Zhangjing Zhang; Shengchang Xiang; Frank R. Fronczek; Rajamani Krishna; Banglin Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6493
• a: 14.306 ± 0.002 Å
• b: 19.509 ± 0.003 Å
• c: 36.482 ± 0.005 Å
• α: 90°
• β: 99.629 ± 0.0009°
• γ: 90°
• Cell volume: 10039 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No