Information card for entry 7115365

Structure parameters

• Formula: C97 H97 Fe2 N8 O12 Zn2
• Calculated formula: C97 H97 Fe2 N8 O12 Zn2
• 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: 14.4 ± 0.003 Å
• b: 37.7 ± 0.008 Å
• c: 27.2 ± 0.005 Å
• α: 90°
• β: 100 ± 0.03°
• γ: 90°
• Cell volume: 14542 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No