Information card for entry 4004070

Structure parameters

• Formula: C6 H9 Cl4 N3 Pb
• Calculated formula: C6 H9 Cl4 N3 Pb
• Title of publication: Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity
• Authors of publication: Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui
• Journal of publication: Chemistry of Materials
• Year of publication: 2022
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 1699 - 1709
• a: 8.7977 ± 0.0016 Å
• b: 8.8461 ± 0.0016 Å
• c: 9.5142 ± 0.0017 Å
• α: 105.05 ± 0.005°
• β: 96.33 ± 0.005°
• γ: 115.707 ± 0.005°
• Cell volume: 622.8 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 189.99 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No