Information card for entry 4518931

Structure parameters

• Formula: C78 H52 La2 N8 O14
• Calculated formula: C78 H52 La2 N8 O14
• Title of publication: Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.
• Authors of publication: Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 31
• Pages of publication: 37102 - 37110
• a: 21.5757 ± 0.0003 Å
• b: 24.2503 ± 0.0002 Å
• c: 31.8735 ± 0.0004 Å
• α: 90°
• β: 102.464 ± 0.001°
• γ: 90°
• Cell volume: 16283.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0794
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No