Information card for entry 7109574

Structure parameters

• Formula: C162 H180 N18 O30 Ti4 Zn3
• Calculated formula: C162 H180 N18 O30 Ti4 Zn3
• 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: 34.0597 ± 0.0005 Å
• b: 16.9014 ± 0.0002 Å
• c: 18.3315 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10552.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No