Information card for entry 7023474

Structure parameters

• Formula: C39 H33 Cl2 Cu F6 N O P3
• Calculated formula: C39 H33 Cl2 Cu F6 N O P3
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2c(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)[N]#CC.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Phosphorescent properties of metal-free diphosphine ligands and effects of copper binding.
• Authors of publication: Yuasa, Junpei; Dan, Misato; Kawai, Tsuyoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16096 - 16101
• a: 12.304 ± 0.0003 Å
• b: 13.1496 ± 0.0003 Å
• c: 14.3713 ± 0.0003 Å
• α: 98.9065 ± 0.0007°
• β: 104.779 ± 0.0007°
• γ: 115.628 ± 0.0007°
• Cell volume: 1931.04 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No