Information card for entry 7109573

Structure parameters

• Formula: C158 H172 Br Cd3 N18 O31 Ti4
• Calculated formula: C158 H172 Br Cd3 N18 O31 Ti4
• Title of publication: Chiral microporous Ti(salan)-based metal-organic frameworks for asymmetric sulfoxidation
• Authors of publication: Chengfeng Zhu; Xu Chen; Zhiwei Yang; Xia Du; Yan Liu; Yong Cui
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7120
• a: 34.4419 ± 0.0013 Å
• b: 16.7622 ± 0.0008 Å
• c: 18.4473 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10650 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1197
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No