Information card for entry 4003642

Structure parameters

• Formula: C H6 Au Br3 N
• Calculated formula: C H6 Au Br3 N
• Title of publication: Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers
• Authors of publication: Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 7.9115 ± 0.001 Å
• b: 7.9115 ± 0.001 Å
• c: 23.385 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1463.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No