Information card for entry 7237691

Structure parameters

• Formula: C24 H36 Bi2 Br9 N3
• Calculated formula: C24 H36 Bi2 Br9 N3
• Title of publication: Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications
• Authors of publication: Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 36
• Pages of publication: 20733
• a: 14.0039 ± 0.0002 Å
• b: 19.5707 ± 0.0002 Å
• c: 15.5528 ± 0.0003 Å
• α: 90°
• β: 115.492 ± 0.002°
• γ: 90°
• Cell volume: 3847.52 ± 0.12 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No