Information card for entry 7247393

Structure parameters

• Formula: C28 H42 Cu3 I5 N4
• Calculated formula: C28 H42 Cu3 I5 N4
• SMILES: [I]1[Cu]234([I]5[Cu]613([I][Cu]456([I]2)I)[N]12CC[N+](CC1)(Cc1ccc(C)cc1)CC2)[N]12CC[N+](Cc3ccc(cc3)C)(CC1)CC2
• Title of publication: Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
• Authors of publication: Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 40
• Pages of publication: 5722 - 5729
• a: 10.1442 ± 0.0005 Å
• b: 10.9745 ± 0.0006 Å
• c: 17.6401 ± 0.0009 Å
• α: 86.956 ± 0.003°
• β: 83.873 ± 0.003°
• γ: 88.591 ± 0.002°
• Cell volume: 1949.5 ± 0.18 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No