Information card for entry 4325397

Structure parameters

• Formula: C45 H49 N13 O25 Sn Zn2
• Calculated formula: C42 H24 N8 O8 Sn Zn2
• Title of publication: A SnIV-Porphyrin-Based Metal-Organic Framework for the Selective Photo-Oxygenation of Phenol and Sulfides
• Authors of publication: Ming-Hua Xie; Xiu-Li Yang; Chao Zou; Chuan-De Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5318 - 5320
• a: 22.8951 ± 0.0003 Å
• b: 22.8951 ± 0.0003 Å
• c: 9.3454 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4898.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 127
• Hermann-Mauguin space group symbol: P 4/m b m
• Hall space group symbol: -P 4 2ab
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No