Information card for entry 7030453

Structure parameters

• Formula: C50 H48 I N O2 P2 Ru S
• Calculated formula: C50 H48 I N O2 P2 Ru S
• 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: 11.5401 ± 0.0016 Å
• b: 12.3535 ± 0.0017 Å
• c: 17.615 ± 0.003 Å
• α: 72.444 ± 0.002°
• β: 76.977 ± 0.002°
• γ: 69.123 ± 0.002°
• Cell volume: 2217.4 ± 0.6 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: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No