Information card for entry 7062181

Structure parameters

• Formula: C16 H32 Cu2 F2 I4 N4
• Calculated formula: C16 H32 Cu2 F2 I4 N4
• SMILES: [I]1[Cu]2([I][Cu]12(I)[N]12CC[N+](CC1)(CC2)CCF)(I)[N]12CC[N+](CC2)(CC1)CCF
• Title of publication: Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light
• Authors of publication: Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 2556 - 2564
• a: 7.4735 ± 0.0008 Å
• b: 8.6042 ± 0.0011 Å
• c: 10.7737 ± 0.0011 Å
• α: 80.277 ± 0.002°
• β: 83.715 ± 0.002°
• γ: 75.29 ± 0.002°
• Cell volume: 658.84 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No