Information card for entry 1555295

Structure parameters

• Formula: C12 H21 I3 N3 O2 Pb
• Calculated formula: C12 H21 I3 N3 O2 Pb
• Title of publication: Hybrid benzidinium lead iodide perovskites with a 1D structure as photoinduced electron transfer photocatalysts
• Authors of publication: Peng, Yong; Albero, Josep; Álvarez, Eleuterio; García, Hermenegildo
• Journal of publication: Sustainable Energy & Fuels
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2356
• a: 8.0816 ± 0.0008 Å
• b: 12.3906 ± 0.0012 Å
• c: 12.9013 ± 0.0011 Å
• α: 97.876 ± 0.004°
• β: 106.389 ± 0.004°
• γ: 104.083 ± 0.004°
• Cell volume: 1172.4 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No