Information card for entry 4513971

Structure parameters

• Formula: C84 H84 Cd2 Cu N4 O16 V
• Calculated formula: C84 H84 Cd2 Cu N4 O16 V
• Title of publication: Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes
• Authors of publication: Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 7590
• a: 33.9506 ± 0.0014 Å
• b: 35.3214 ± 0.0012 Å
• c: 13.4377 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16114.3 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.2666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No