Information card for entry 4004071

Structure parameters

• Formula: C6 H9 I4 N3 Pb
• Calculated formula: C6 H9 I4 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: 17.0883 ± 0.0011 Å
• b: 9.4534 ± 0.0006 Å
• c: 19.6226 ± 0.0012 Å
• α: 90°
• β: 101.866 ± 0.002°
• γ: 90°
• Cell volume: 3102.1 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 189.99 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.3635
• Weighted residual factors for all reflections included in the refinement: 0.368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.687
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No