Information card for entry 7040343

Structure parameters

• Formula: C45 H39 Ag Cl O2 P3
• Calculated formula: C45 H39 Ag Cl O2 P3
• SMILES: c12c(cccc1)P1(c3ccccc3[P](c3ccccc3)(c3ccccc3)[Ag]([O]=1)([P]2(c1ccccc1)c1ccccc1)Cl)c1ccccc1.CC(=O)C
• 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: 11.2147 ± 0.001 Å
• b: 10.9485 ± 0.0006 Å
• c: 32.358 ± 0.002 Å
• α: 90°
• β: 93.236 ± 0.007°
• γ: 90°
• Cell volume: 3966.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No