Information card for entry 1567408

Structure parameters

• Chemical name: catena-[2-(2-ammonioethyl)-1H-imidazol-3-ium bis(mu-bromo)-dibromo-lead]
• Formula: C5 H11 Cl4 N3 Pb
• Calculated formula: C5 H11 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: 9.6565 ± 0.0005 Å
• b: 11.2444 ± 0.0005 Å
• c: 11.4494 ± 0.0005 Å
• α: 90°
• β: 106.444 ± 0.002°
• γ: 90°
• Cell volume: 1192.34 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No