Information card for entry 2107955

Structure parameters

• Formula: C0.925 H5.55 I2.982 N0.925 O0.088 Pb
• Calculated formula: C0.924 H5.544 I2.98 N0.924 O0.088 Pb
• Title of publication: CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions
• Authors of publication: Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 716 - 722
• a: 8.8829 ± 0.0003 Å
• b: 8.8829 ± 0.0003 Å
• c: 12.7008 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1002.17 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation wavelength: 0.68362 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes