Information card for entry 7040347

Structure parameters

• Formula: C42 H33 Br Cu P3
• Calculated formula: C42 H33 Br Cu P3
• SMILES: c12c(cccc1)[P]1(c3ccccc3)c3c(cccc3)[P](c3ccccc3)(c3ccccc3)[Cu]1([P]2(c1ccccc1)c1ccccc1)Br
• 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: 13.4272 ± 0.0006 Å
• b: 18.5516 ± 0.0008 Å
• c: 13.7711 ± 0.0006 Å
• α: 90°
• β: 96.087 ± 0.001°
• γ: 90°
• Cell volume: 3411 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No