Information card for entry 7224849

Structure parameters

• Common name: [Cu(μ-I)Pr-dppb]2
• Chemical name: 4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine
• Formula: C68 H54 Cu2 I2 N2 P4
• Calculated formula: C68 H54 Cu2 I2 N2 P4
• SMILES: [Cu]123([Cu]4([I]1)([I]2)[P](c1c([P]4(c2ccccc2)c2ccccc2)ccc(n2cccc2)c1)(c1ccccc1)c1ccccc1)[P](c1c([P]3(c2ccccc2)c2ccccc2)cc(n2cccc2)cc1)(c1ccccc1)c1ccccc1
• Title of publication: A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties
• Authors of publication: Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4388
• a: 13.6302 ± 0.0006 Å
• b: 13.8186 ± 0.0005 Å
• c: 18.0831 ± 0.0007 Å
• α: 110.055 ± 0.003°
• β: 104.744 ± 0.003°
• γ: 97.913 ± 0.003°
• Cell volume: 2997.7 ± 0.2 ų
• Cell temperature: 100.1 ± 0.2 K
• Ambient diffraction temperature: 100.1 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No