Information card for entry 7016148

Structure parameters

• Formula: C86 H76 B2 Cu2 F8 N6 P4
• Calculated formula: C86 H76 B2 Cu2 F8 N6 P4
• SMILES: [B](F)(F)(F)[F-].c1(ccc(cc1)N1C[P](c2ccccc2)(c2ccccc2)[Cu]2([n]3c(ccc4c3c3[n]2c(ccc3cc4)C)C)[P](C1)(c1ccccc1)c1ccccc1)N1C[P](c2ccccc2)(c2ccccc2)[Cu]2([n]3c(ccc4c3c3[n]2c(ccc3cc4)C)C)[P](C1)(c1ccccc1)c1ccccc1.[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: 9.469 ± 0.003 Å
• b: 20.695 ± 0.005 Å
• c: 20.233 ± 0.005 Å
• α: 90°
• β: 100.396 ± 0.006°
• γ: 90°
• Cell volume: 3899.8 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1718
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No