Information card for entry 7040341

Structure parameters

• Formula: C84 H66 Au2 F12 O2 P8
• Calculated formula: C84 H66 Au2 F12 O2 P8
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)c2c(P(=O)(c3ccccc3)c3c([P]([Au][P](c4c(P(=O)(c5c1cccc5)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cccc3)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 32.139 ± 0.002 Å
• b: 15.1473 ± 0.001 Å
• c: 22.6292 ± 0.0014 Å
• α: 90°
• β: 126.759 ± 0.002°
• γ: 90°
• Cell volume: 8825.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No