Information card for entry 1572709

Structure parameters

• Formula: C96 H49 Bi2 Co2 N8 O16
• Calculated formula: C96 H50 Bi2 Co2 N8 O18
• Title of publication: Boosting Photothermal Conversion through Array Aggregation of Metalloporphyrins in Bismuth-based Coordination Frameworks
• Authors of publication: He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 41.3673 ± 0.0006 Å
• b: 24.2477 ± 0.0003 Å
• c: 9.2397 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9268 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No