Information card for entry 7030448

Structure parameters

• Formula: C62.5 H56 Br N O2 P2 Ru S
• Calculated formula: C62.5 H56 Br 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: 11.359 ± 0.004 Å
• b: 14.753 ± 0.005 Å
• c: 17.27 ± 0.006 Å
• α: 93.39 ± 0.009°
• β: 104.451 ± 0.008°
• γ: 107.96 ± 0.01°
• Cell volume: 2636.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1148
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No