Information card for entry 4064607

Structure parameters

• Formula: C98 H79 As F6 P4 Ru2
• Calculated formula: C98 H79 As F6 P4 Ru2
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#Cc5ccc(cc5)C(c5ccccc5)=C=[Ru]5678([P](c9ccccc9)(c9ccccc9)c9ccccc9)([P](c9ccccc9)(c9ccccc9)c9ccccc9)[cH]9[cH]5[cH]6[cH]7[cH]89)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.[As](F)(F)([F-])(F)(F)F
• 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: 16.8173 ± 0.0002 Å
• b: 25.9214 ± 0.0002 Å
• c: 19.2952 ± 0.0002 Å
• α: 90°
• β: 110.02 ± 0.001°
• γ: 90°
• Cell volume: 7903.05 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No