Information card for entry 1566769

Structure parameters

• Formula: C48 H28 Bi N4 O9
• Calculated formula: C48 H28 Bi N4 O9
• Title of publication: A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides
• Authors of publication: Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3254 - 3260
• a: 17.3 ± 0.003 Å
• b: 17.4 Å
• c: 18.975 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5711.9 ± 1.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No