Information card for entry 7701865

Structure parameters

• Formula: C6 H11 Br3 N2 Pb
• Calculated formula: C6 H11 Br3 N2 Pb
• Title of publication: Two low-dimensional metal halides: ionothermal synthesis, photoluminescence, and nonlinear optical properties
• Authors of publication: Deng, Yuandan; Dong, Xuehua; Yang, Meng; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 8.19366 ± 0.00013 Å
• b: 9.78266 ± 0.00016 Å
• c: 15.4593 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.15 ± 0.04 ų
• Cell temperature: 295.11 ± 0.1 K
• Ambient diffraction temperature: 295.11 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No