Information card for entry 7719309

Structure parameters

• Formula: C44 H83.72 Cu2 I4 N2 O12
• Calculated formula: C44 H83.717 Cu2 I4 N2 O12
• Title of publication: A single-component white-light-emitting hybrid copper(I) halide constructed using a supramolecular cation for WLEDs.
• Authors of publication: Zhang, Rong-Yan; Zhu, Ting; Zhang, Jin; Shao, Dong-Sheng; Ma, Ying-Zhao; Peng, Guo; Ren, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14359 - 14366
• a: 39.0514 ± 0.0009 Å
• b: 15.4788 ± 0.0003 Å
• c: 25.5006 ± 0.0006 Å
• α: 90°
• β: 130.77°
• γ: 90°
• Cell volume: 11673.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.087
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No