Information card for entry 7040337

Structure parameters

• Formula: C94 H86 Ag2 F6 O10 P6 S2
• Calculated formula: C94 H86 Ag2 F6 O10 P6 S2
• SMILES: c1(ccccc1)P12c3ccccc3[P]([Ag]([O]=1)[P](c1ccccc1)(c1c(P3(c4ccccc4)c4ccccc4[P]([Ag]([O]=3)[P](c3ccccc3)(c3c2cccc3)c2ccccc2)(c2ccccc2)c2ccccc2)cccc1)c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-].CCOCC.FC(F)(F)S(=O)(=O)[O-].O(CC)CC
• 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: 14.1014 ± 0.0007 Å
• b: 13.39 ± 0.0007 Å
• c: 23.1422 ± 0.0013 Å
• α: 90°
• β: 101.235 ± 0.002°
• γ: 90°
• Cell volume: 4285.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No