Information card for entry 1576064

Structure parameters

• Formula: C44 H36 Cu4 I4 N4 O4
• Calculated formula: C44 H36 Cu4 I4 N4 O4
• Title of publication: Regulating charge transfer of copper(I) coordination compounds via 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, Shu-Juan; Zhao, Qiang
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 25.128 ± 0.003 Å
• b: 9.0436 ± 0.001 Å
• c: 21.557 ± 0.002 Å
• α: 90°
• β: 101.525 ± 0.005°
• γ: 90°
• Cell volume: 4800 ± 0.9 ų
• Cell temperature: 298.99 K
• Ambient diffraction temperature: 298.99 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No