Information card for entry 7241261

Structure parameters

• Formula: C2 H0.25 I3 N Pb
• Calculated formula: C2 H8 I3 N Pb
• Title of publication: Properties and growth of large single crystal of one dimensional organic lead iodine perovskites
• Authors of publication: Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.9303 ± 0.0006 Å
• b: 14.691 ± 0.0009 Å
• c: 7.979 ± 0.0005 Å
• α: 90°
• β: 95.994 ± 0.004°
• γ: 90°
• Cell volume: 1041.08 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No