Information card for entry 7131727

Structure parameters

• Formula: C6 H14 Br4 F6 N2 Pb
• Calculated formula: C6 H14 Br4 F6 N2 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: 7.9087 ± 0.0002 Å
• b: 8.9042 ± 0.0003 Å
• c: 24.2405 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1707.03 ± 0.09 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No