Information card for entry 8000561

Structure parameters

• Formula: C14 H16 Br5 N6 Sb
• Calculated formula: C14 H16 Br5 N6 Sb
• Title of publication: Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.
• Authors of publication: Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Pages of publication: 198 - 207
• a: 10.3309 ± 0.0006 Å
• b: 15.6212 ± 0.001 Å
• c: 14.2713 ± 0.0009 Å
• α: 90°
• β: 108.667 ± 0.002°
• γ: 90°
• Cell volume: 2182 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0271
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No