Information card for entry 7134494

Structure parameters

• Formula: C74 H66 Mn3 N10 O22
• Calculated formula: C56 H24 Mn3 N4 O16
• Title of publication: Carbazole-functionalized MOFs for efficient selective photocatalytic oxidation of thioethers to sulfoxides
• Authors of publication: Zhang, Dan; Zhang, Mengrui; Jing, Xu; Duan, Chunying
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 45
• Pages of publication: 8260 - 8263
• a: 21.3652 ± 0.0009 Å
• b: 15.6738 ± 0.0006 Å
• c: 22.9732 ± 0.001 Å
• α: 90°
• β: 98.797 ± 0.002°
• γ: 90°
• Cell volume: 7602.6 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No