Information card for entry 1567412

Structure parameters

• Formula: C4 H9 Cl4 N3 Pb
• Calculated formula: C4 H9 Cl4 N3 Pb
• Title of publication: Reliably obtaining white light from layered halide perovskites at room temperature
• Authors of publication: Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 15.7175 ± 0.0005 Å
• b: 8.1812 ± 0.0002 Å
• c: 17.2809 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2222.12 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No