Information card for entry 4518042

Structure parameters

• Formula: C H6 I3 N Pb
• Calculated formula: C H6 I3 N Pb
• Title of publication: Incorporated Guanidinium Expands the CH₃NH₃PbI₃ Lattice and Enhances Photovoltaic Performance.
• Authors of publication: Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 43885 - 43891
• a: 8.8921 ± 0.0013 Å
• b: 8.8921 ± 0.0013 Å
• c: 12.604 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 996.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1199
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for significantly intense reflections: 7.55
• Goodness-of-fit parameter for all reflections included in the refinement: 7.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71359 Å
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No