Information card for entry 4064609

Structure parameters

• Formula: C100.8 H85.6 As2 Cl5.6 F12 P4 Ru2
• Calculated formula: C100.777 H85.554 As2 Cl5.554 F12 P4 Ru2
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C=Cc5ccc(cc5)C(c5ccccc5)=C=[Ru]5678([P](c9ccccc9)(c9ccccc9)c9ccccc9)([P](c9ccccc9)(c9ccccc9)c9ccccc9)[cH]9[cH]8[cH]7[cH]6[cH]59)[cH]5[cH]4[cH]3[cH]2[cH]15.[As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)([F-])F.ClCCl.ClCCl.ClCCl
• Title of publication: Oxidative Dimerization of Arylalkynyl‒Ruthenium Complexes
• Authors of publication: Bruce, Michael I.; Burgun, Alexandre; Gendron, Frédéric; Grelaud, Guillaume; Halet, Jean-François; Skelton, Brian W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2861
• a: 14.6343 ± 0.0007 Å
• b: 15.4996 ± 0.0009 Å
• c: 22.1769 ± 0.0012 Å
• α: 90.47 ± 0.004°
• β: 108.805 ± 0.005°
• γ: 99.449 ± 0.004°
• Cell volume: 4687.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No