Information card for entry 7126980

Structure parameters

• Formula: C8 H10 Cl N O4 Pb S
• Calculated formula: C8 H10 Cl 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: 10.0345 ± 0.0009 Å
• b: 10.0345 ± 0.0009 Å
• c: 21.669 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1889.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No