Information card for entry 7252068

Structure parameters

• Formula: C21 H43 Cu5 I7 N5 O2
• Calculated formula: C21 H42 Cu5 I7 N5 O2
• Title of publication: Copper(i) iodide complexes based on [Cu5I7]2− units and cationic organic ligands for X-ray scintillation and imaging
• Authors of publication: Wu, Qian; Lu, Zhen-Zhong; Zhang, Rui
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 15.1079 ± 0.0012 Å
• b: 16.0103 ± 0.0012 Å
• c: 8.814 ± 0.0007 Å
• α: 90°
• β: 115.038 ± 0.003°
• γ: 90°
• Cell volume: 1931.6 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No