Information card for entry 4077354

Structure parameters

• Formula: C34 H28 O4 Ru
• Calculated formula: C34 H28 O4 Ru
• Title of publication: X-ray Structure and Reactivity of (η4-tetraphenylcyclopentadienone)(CO)2Ru(HOCHMe2): Unexpected Stability of the Neutral 2-Propanol−Ruthenium(0) Complex with Respect to β-Hydride Elimination
• Authors of publication: Jung, Hyun Min; Shin, Seung Tae; Kim, Yu Hwan; Kim, Mahn-Joo; Park, Jaiwook
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 3370
• a: 12.0939 ± 0.0001 Å
• b: 9.9872 ± 0.0001 Å
• c: 23.5615 ± 0.0002 Å
• α: 90°
• β: 94.437 ± 0.001°
• γ: 90°
• Cell volume: 2837.33 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No