Information card for entry 7131659

Structure parameters

• Formula: C16 H22 Br4 F2 N2 Pb
• Calculated formula: C16 H22 Br4 F2 N2 Pb
• Title of publication: Circularly polarized luminescence enlargement from crystals to oriented films of enantiopure 2D hybrid perovskites.
• Authors of publication: Zhao, Xuan-Hui; Li, Na-Na; Peng, Jing; Xu, Jun; Luo, Peng; Dong, Xi-Yan; Hu, Xiaozong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 45
• Pages of publication: 6881 - 6884
• a: 7.8431 ± 0.0001 Å
• b: 8.7977 ± 0.0001 Å
• c: 33.4343 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2307.01 ± 0.05 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No