Information card for entry 7030452

Structure parameters

• Formula: C49 H46 I N O2 P2 Ru S
• Calculated formula: C49 H46 I N O2 P2 Ru S
• SMILES: [Ru]1(I)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(O1)C)=C1Sc2c(N1CC(C)C)cccc2
• Title of publication: Ruthenium(II) N,S-heterocyclic carbene complexes and transfer hydrogenation of ketones.
• Authors of publication: Ding, Nini; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10179 - 10185
• a: 11.1382 ± 0.0005 Å
• b: 12.3698 ± 0.0006 Å
• c: 18.7464 ± 0.0008 Å
• α: 74.524 ± 0.001°
• β: 81.573 ± 0.001°
• γ: 63.401 ± 0.001°
• Cell volume: 2224.63 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No