Information card for entry 7023475

Structure parameters

• Formula: C73 H58 Cl2 Cu F6 O2 P5
• Calculated formula: C73 H58 Cl2 Cu F6 O2 P5
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2c(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)[P](c1ccccc1)(c1ccccc1)c1c(Oc2c(P(c3ccccc3)c3ccccc3)cccc2)cccc1.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: 13.2668 ± 0.0003 Å
• b: 14.2781 ± 0.0003 Å
• c: 18.6164 ± 0.0004 Å
• α: 105.9 ± 0.0007°
• β: 97.149 ± 0.0007°
• γ: 91.2961 ± 0.0007°
• Cell volume: 3359.17 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No