Information card for entry 4077474

Structure parameters

• Formula: C55 H43 O9.5 Ru3
• Calculated formula: C55 H42 O9.5 Ru3
• Title of publication: Reactivity of a Triruthenium Acetylide Complex toward Alkynes and the Silica-Mediated Dehydration of Cluster-Bound Alkynols: X-ray Crystal Structures of the Novel Butadienyl Species [Ru3(CO)8{μ3-η8-C(But)CC(Ph)C(H)Ph}] and the Unusual Complex [Ru3(CO)5(μ-CO){μ3-η5-CC(But)- OC(Ph)2CCH}{μ3-η6-CHC(CPh2OH)COC(CPh2)CH}]
• Authors of publication: Charmant, Jonathan P. H.; Davies, Guy; King, Philip J.; Wigginton, James R.; Sappa, E.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 2330
• a: 9.8161 ± 0.0017 Å
• b: 12.972 ± 0.003 Å
• c: 19.602 ± 0.003 Å
• α: 81.76 ± 0.03°
• β: 78.649 ± 0.018°
• γ: 87.883 ± 0.018°
• Cell volume: 2421.8 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No