Information card for entry 7016147

Structure parameters

• Formula: C82 H68 B2 Cu2 F8 N6 O0 P4
• Calculated formula: C82 H68 B2 Cu2 F8 N6 P4
• SMILES: [Cu]12([P](CN(c3ccc(N4C[P]([Cu]5([P](C4)(c4ccccc4)c4ccccc4)[n]4cccc6ccc7ccc[n]5c7c46)(c4ccccc4)c4ccccc4)cc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cccc3ccc4ccc[n]2c4c13.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.
• Authors of publication: Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7551 - 7558
• a: 9.4138 ± 0.0003 Å
• b: 18.598 ± 0.0007 Å
• c: 22.5631 ± 0.0008 Å
• α: 72.718 ± 0.003°
• β: 89.843 ± 0.003°
• γ: 85.223 ± 0.003°
• Cell volume: 3757.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No