Information card for entry 7132774

Structure parameters

• Formula: C12 H12 I4 N2 O4 Pb S2
• Calculated formula: C12 H12 I4 N2 O4 Pb S2
• Title of publication: 1D Pb halide perovskite-like materials for high performance X-ray detection.
• Authors of publication: Wang, Jing; Yang, Jin-Hai; Chen, Jie; Wang, Shuai-Hua; Chen, Yong-Jun; Xu, Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 24
• Pages of publication: 3311 - 3314
• a: 4.6903 ± 0.0003 Å
• b: 19.9065 ± 0.0016 Å
• c: 12.82 ± 0.0011 Å
• α: 90°
• β: 99.393 ± 0.003°
• γ: 90°
• Cell volume: 1180.92 ± 0.16 ų
• Cell temperature: 299.9 K
• Ambient diffraction temperature: 299.9 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No