Information card for entry 4064608

Structure parameters

• Formula: C98 H79 F6 P5 Ru2
• Calculated formula: C98 H79 F6 P5 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.[P](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: 16.8088 ± 0.0004 Å
• b: 25.8165 ± 0.0009 Å
• c: 19.2865 ± 0.0007 Å
• α: 90°
• β: 110.096 ± 0.003°
• γ: 90°
• Cell volume: 7859.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No