Information card for entry 4303884

Structure parameters

• Formula: C52 H42 Cl8 P2 Ru S2
• Calculated formula: C52 H42 Cl8 P2 Ru S2
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(SC(=C(S1)c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 11.684 ± 0.007 Å
• b: 15.101 ± 0.009 Å
• c: 16.227 ± 0.01 Å
• α: 70.154 ± 0.01°
• β: 69.881 ± 0.01°
• γ: 82.166 ± 0.011°
• Cell volume: 2528 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No