Information card for entry 7120347

Structure parameters

• Formula: C211 H200 Cd5 N22 Ni2 O31
• Calculated formula: C188 H138 Cd5 N16 Ni2 O20
• Title of publication: The first porphyrin-salen based chiral metal-organic framework for asymmetric cyanosilylation of aldehydes
• Authors of publication: Jiang, Huanfeng; Li, Jiawei; Ren, Yanwei; Qi, Chaorong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 16.3993 ± 0.0004 Å
• b: 17.3042 ± 0.0003 Å
• c: 24.3278 ± 0.001 Å
• α: 85.324 ± 0.002°
• β: 78.917 ± 0.003°
• γ: 89.496 ± 0.002°
• Cell volume: 6752.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.2951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No