Information card for entry 7032867

Structure parameters

• Formula: C46 H46 Cl2 Cu F6 N2 O2 P3
• Calculated formula: C46 H46 Cl2 Cu F6 N2 O2 P3
• SMILES: [Cu]12([P](c3ccccc3)(C[C@@H]3OC(O[C@H]3C[P]1(c1ccccc1)c1ccccc1)(C)C)c1ccccc1)[n]1c3c4[n]2c(C)ccc4ccc3ccc1C.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Highly emissive copper(I) complexes bearing diimine and bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane.
• Authors of publication: Nishikawa, Michihiro; Sawamura, Shota; Haraguchi, Aya; Morikubo, Jun; Takao, Koichiro; Tsubomura, Taro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 411 - 418
• a: 9.927 ± 0.009 Å
• b: 11.073 ± 0.01 Å
• c: 11.197 ± 0.011 Å
• α: 90.23 ± 0.03°
• β: 90.84 ± 0.03°
• γ: 112.89 ± 0.03°
• Cell volume: 1133.7 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No