Information card for entry 7126979

Structure parameters

• Formula: C8 H10 Br N O4 Pb S
• Calculated formula: C8 H10 Br N O4 Pb S
• Title of publication: Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.
• Authors of publication: Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 69
• Pages of publication: 10078 - 10081
• a: 10.1079 ± 0.0009 Å
• b: 10.1079 ± 0.0009 Å
• c: 21.838 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1932.3 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 7
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0539
• 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: Yes
• Has Fobs: No