Information card for entry 4071238

Structure parameters

• Formula: C78.57 H141.15 Cl4.94 N O7 P4 Ru4
• Calculated formula: C78.575 H141.15 Cl4.936 N O7 P4 Ru4
• Title of publication: Kinetic, Spectroscopic, and X-Ray Crystallographic Evidence for the Cooperative Mechanism of the Hydration of Nitriles Catalyzed by a Tetranuclear Ruthenium-μ-oxo-μ-hydroxo Complex
• Authors of publication: Yi, Chae S.; Zeczycki, Tonya N.; Lindeman, Sergey V.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2030
• a: 19.7118 ± 0.0003 Å
• b: 18.4691 ± 0.0003 Å
• c: 25.4987 ± 0.0004 Å
• α: 90°
• β: 99.551 ± 0.001°
• γ: 90°
• Cell volume: 9154.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No