Information card for entry 7218931

Structure parameters

• Formula: C H6 I3 N Pb
• Calculated formula: C I3 N Pb
• Title of publication: Bulk crystal growth of hybrid perovskite material CH3NH3PbI3
• Authors of publication: Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 665
• a: 8.896 ± 0.003 Å
• b: 8.896 ± 0.003 Å
• c: 12.637 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1000.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 108
• Hermann-Mauguin space group symbol: I 4 c m
• Hall space group symbol: I 4 -2c
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No