Information card for entry 7241260

Structure parameters

• Formula: C2 I3 N Pb
• Calculated formula: C2 I3 N0.99 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: 8.7799 ± 0.0012 Å
• b: 8.7799 ± 0.0012 Å
• c: 8.193 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 546.96 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No