Information card for entry 7249738

Structure parameters

• Chemical name: (BAPPz)Cd2Br8.2H2O
• Formula: C5 H16 Br4 Cd N2 O
• Calculated formula: C5 H16 Br4 Cd N2 O
• Title of publication: Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes
• Authors of publication: Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 939 - 947
• a: 7.0976 ± 0.0004 Å
• b: 9.1098 ± 0.0005 Å
• c: 11.0003 ± 0.0006 Å
• α: 86.013 ± 0.002°
• β: 84.06 ± 0.002°
• γ: 82.39 ± 0.002°
• Cell volume: 700.08 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No