Information card for entry 1567413

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: 15.7952 ± 0.0008 Å
• b: 8.1952 ± 0.0004 Å
• c: 17.4241 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2255.5 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300.15 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: 0.0399
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No