Information card for entry 4303882

Structure parameters

• Formula: C50 H43 O2 P Ru S4
• Calculated formula: C50 H43 O2 P Ru S4
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(SC(=C(S1)c1ccccc1)c1ccccc1)SC(=C(S2)c1ccccc1)c1ccccc1.O=C(OCC)C
• Title of publication: Efficient Transfer of Either One or Two Dithiolene Ligands from Nickel to Ruthenium: Synthesis and Crystal Structures of [Ru(SCR=CPhS)2(PPh3)] and [RuCl2(SCR=CPhS)(PPh3)2] (R = Ph, H)
• Authors of publication: Harry Adams; Anna M. Coffey; Michael J. Morris; Sarah A. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11945 - 11953
• a: 15.556 ± 0.002 Å
• b: 20.523 ± 0.003 Å
• c: 27.394 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8746 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No