Information card for entry 8000325

Structure parameters

• Formula: C H6 I N
• Calculated formula: C H6 I N
• Title of publication: Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds.
• Authors of publication: Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F.
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 7245 - 7250
• a: 5.124 ± 0.003 Å
• b: 5.124 ± 0.003 Å
• c: 9.039 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 237.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No