Information card for entry 7249699

Structure parameters

• Formula: C39 Cu I N2 P2
• Calculated formula: C39 Cu I N2 P2
• Title of publication: Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission
• Authors of publication: Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 661 - 667
• a: 13.1546 ± 0.0003 Å
• b: 12.9738 ± 0.0003 Å
• c: 21.2555 ± 0.0005 Å
• α: 90°
• β: 101.043 ± 0.002°
• γ: 90°
• Cell volume: 3560.4 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No