Information card for entry 7032868

Structure parameters

• Formula: C67 H52 Cu F6 N2 O2 P3
• Calculated formula: C67 H52 Cu F6 N2 O2 P3
• SMILES: [Cu]12([P](C[C@@H]3OC(C)(C)O[C@H]3C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(C)cc(c3ccc4c(c5ccccc5)cc([n]2c4c13)C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C1CCCC1.C1CCCC1
• 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: 11.3979 ± 0.0007 Å
• b: 21.1386 ± 0.0011 Å
• c: 25.6198 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6172.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No