Information card for entry 7127910

Structure parameters

• Formula: C7 H15 Br3 Cl N Pb
• Calculated formula: C7 H15 Br3 Cl N Pb
• Title of publication: Highly efficient self-trapped exciton emission in a one-dimensional face-shared hybrid lead bromide.
• Authors of publication: Qi, Zhikai; Chen, Yali; Guo, Yao; Yang, Xuelian; Gao, Huizhi; Zhou, Guojun; Li, Shi-Li; Zhang, Xian-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 20
• Pages of publication: 2495 - 2498
• a: 10.9554 ± 0.0013 Å
• b: 16.2655 ± 0.0017 Å
• c: 7.9831 ± 0.0008 Å
• α: 90°
• β: 109.324 ± 0.012°
• γ: 90°
• Cell volume: 1342.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.2531
• Weighted residual factors for all reflections included in the refinement: 0.3068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No