Information card for entry 7236859

Structure parameters

• Chemical name: AC-8-400K
• Formula: C16 H20 Br5 N2 Sb
• Calculated formula: C16 H20 Br4.999 N2 Sb
• Title of publication: Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation
• Authors of publication: Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 38
• Pages of publication: 9967
• a: 11.0102 ± 0.0006 Å
• b: 15.1858 ± 0.0008 Å
• c: 13.6416 ± 0.0009 Å
• α: 90°
• β: 99.313 ± 0.006°
• γ: 90°
• Cell volume: 2250.8 ± 0.2 ų
• Cell temperature: 400.01 ± 0.1 K
• Ambient diffraction temperature: 400.01 ± 0.1 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: 0.162
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No