Information card for entry 1100802

Structure parameters

• Formula: C17 H30 Cl F6 N6 O3 P3 Ru
• Calculated formula: C17 H30 Cl F6 N6 O3 P3 Ru
• Title of publication: Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H
• Authors of publication: Mebi, Charles A.; Frost, Brian J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2339 - 2346
• a: 26.2152 ± 0.0019 Å
• b: 14.954 ± 0.0011 Å
• c: 6.4535 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2529.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No