Information card for entry 1573219

Structure parameters

• Formula: C15 H19 Cu2 I3 N4 O2
• Calculated formula: C15 H19 Cu2 I3 N4 O2
• Title of publication: Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.
• Authors of publication: Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1106 - 1114
• a: 11.4886 ± 0.001 Å
• b: 13.4361 ± 0.001 Å
• c: 15.0603 ± 0.0012 Å
• α: 90°
• β: 98.972 ± 0.003°
• γ: 90°
• Cell volume: 2296.3 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0721
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No