Information card for entry 7131726

Structure parameters

• Chemical name: (C3H10N)3PbBr5
• Formula: C9 H30 Br5 N3 Pb
• Calculated formula: C9 H30 Br5 N3 Pb
• Title of publication: Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.
• Authors of publication: Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 8111 - 8114
• a: 8.6172 ± 0.0003 Å
• b: 11.8062 ± 0.0005 Å
• c: 21.5472 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2192.13 ± 0.15 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No