Information card for entry 7115366

Structure parameters

• Formula: C104 H100 Cd2 Fe2 N8 O13
• Calculated formula: C104 H100 Cd2 Fe2 N8 O13
• Title of publication: Engineering chiral Fe(salen)-based metal-organic frameworks for asymmetric sulfide oxidation
• Authors of publication: Zhiwei Yang; Chengfeng Zhu; Zijian Li; Yan Liu; Guohua Liu; Yong Cui
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8775
• a: 19.2468 ± 0.0005 Å
• b: 54.9054 ± 0.0013 Å
• c: 64.1439 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 67784 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 22
• Hermann-Mauguin space group symbol: F 2 2 2
• Hall space group symbol: F 2 2
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No