Information card for entry 4321525

Structure parameters

• Formula: C40 H75 Cl2 N O P2 Ru
• Calculated formula: C40 H75 Cl2 N O P2 Ru
• Title of publication: Hydrogenolysis of a Ruthenium Carbene Complex to Yield Dihydride-Dihydrogen Tautomers: Mechanistic Implications for Tandem ROMP-Hydrogenation Catalysis
• Authors of publication: Samantha D. Drouin; Glenn P. A. Yap; Deryn E. Fogg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5412 - 5414
• a: 17.831 ± 0.002 Å
• b: 23.98 ± 0.003 Å
• c: 9.6048 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4106.9 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No