Information card for entry 7120816

Structure parameters

• Formula: C106 H118 Cd2 Mn2 N12 O18.71 V
• Calculated formula: C106 H118 Cd2 Mn2 N12 O18.7065 V
• Title of publication: Chiral binary metal-organic frameworks for asymmetric sequential reactions
• Authors of publication: Li, Zijian; Liu, Yan; Xia, Qingchun; Cui, Yong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 34.757 ± 0.001 Å
• b: 17.7053 ± 0.0005 Å
• c: 23.9558 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14742 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No