Information card for entry 8000560

Structure parameters

• Formula: C21 H26 Br6 In N9 O
• Calculated formula: C21 H26 Br6 In N9 O
• 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: 15.3534 ± 0.0005 Å
• b: 11.9467 ± 0.0006 Å
• c: 17.3788 ± 0.0007 Å
• α: 90°
• β: 103.369 ± 0.001°
• γ: 90°
• Cell volume: 3101.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No