Information card for entry 7040340

Structure parameters

• Formula: C43 H35 Cl2 Cu I O P3
• Calculated formula: C43 H35 Cl2 Cu I O P3
• SMILES: c1ccc(cc1)[P]1(c2ccccc2P2(c3ccccc3)c3c(cccc3)[P](c3ccccc3)(c3ccccc3)[Cu]1(I)[O]=2)c1ccccc1.C(Cl)Cl
• Title of publication: Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.
• Authors of publication: Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14160 - 14173
• a: 13.2014 ± 0.001 Å
• b: 15.8615 ± 0.0012 Å
• c: 18.2144 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3814 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No