Information card for entry 1570837

Structure parameters

• Formula: C6 H11 Br2 Cd N3 O0
• Calculated formula: C6 H11 Br2 Cd N3
• Title of publication: A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.
• Authors of publication: Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 3625 - 3632
• a: 9.0513 ± 0.0002 Å
• b: 8.0055 ± 0.0002 Å
• c: 14.166 ± 0.0003 Å
• α: 90°
• β: 90.092 ± 0.002°
• γ: 90°
• Cell volume: 1026.47 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0532
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No