Information card for entry 1576063

Structure parameters

• Formula: C44 H36 Cu2 I2 N4 O4
• Calculated formula: C44 H36 Cu2 I2 N4 O4
• Title of publication: Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.
• Authors of publication: Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 22690 - 22700
• a: 8.804 ± 0.002 Å
• b: 18.111 ± 0.004 Å
• c: 13.654 ± 0.003 Å
• α: 90°
• β: 105.923 ± 0.006°
• γ: 90°
• Cell volume: 2093.6 ± 0.8 ų
• Cell temperature: 293.77 K
• Ambient diffraction temperature: 293.77 K
• Number of distinct elements: 6
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No