Information card for entry 7237455

Structure parameters

• Formula: C6 H18 Br3.8 Cl0.2 N2 Pb
• Calculated formula: C6 H18 Br3.8 Cl0.2 N2 Pb
• Title of publication: Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x
• Authors of publication: Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 45
• Pages of publication: 12267
• a: 24.3895 ± 0.001 Å
• b: 7.8879 ± 0.0003 Å
• c: 8.2067 ± 0.0003 Å
• α: 90°
• β: 98.966 ± 0.002°
• γ: 90°
• Cell volume: 1559.53 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No