Information card for entry 1572710

Structure parameters

• Formula: C96 Bi2 N8 Ni2 O16
• Calculated formula: C96 Bi2 N8 Ni2 O16
• 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
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 17498 - 17505
• a: 41.7558 ± 0.0005 Å
• b: 24.304 ± 0.0003 Å
• c: 9.2689 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9406.39 ± 0.19 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No