Information card for entry 4127748

Structure parameters

• Formula: Cl2 Pb0.5
• Calculated formula: Cl2 Pb0.5
• Title of publication: Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.
• Authors of publication: Gautier, Romain; Paris, Michael; Massuyeau, Florian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12619 - 12623
• a: 15.541 ± 0.002 Å
• b: 15.541 ± 0.002 Å
• c: 5.7821 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1396.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 2
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No