Information card for entry 4064858

Structure parameters

• Formula: C60 H60 Cl4 N8 O5 Ru2
• Calculated formula: C60 H60 Cl4 N8 O5 Ru2
• Title of publication: New CNN-Type Ruthenium Pincer NHC Complexes. Mild, Efficient Catalytic Hydrogenation of Esters
• Authors of publication: Fogler, Eran; Balaraman, Ekambaram; Ben-David, Yehoshua; Leitus, Gregory; Shimon, Linda, J. W.; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3826
• a: 7.0433 ± 0.0014 Å
• b: 10.613 ± 0.002 Å
• c: 20.98 ± 0.004 Å
• α: 98.1 ± 0.02°
• β: 94.93 ± 0.03°
• γ: 103.49 ± 0.03°
• Cell volume: 1498.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No