Information card for entry 4077473

Structure parameters

• Formula: C28 H20 O8 Ru3
• Calculated formula: C28 H20 O8 Ru3
• SMILES: [Ru]123([Ru]456([Ru]7891(C#[O])(C#[O])[C]3(C(C)(C)C)=[C]47[C]5(=[CH]6[C]18=[CH]9C=CC=C1)c1ccccc1)(C2=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 14.212 ± 0.002 Å
• b: 11.9479 ± 0.0012 Å
• c: 16.337 ± 0.002 Å
• α: 90°
• β: 96.911 ± 0.012°
• γ: 90°
• Cell volume: 2753.9 ± 0.6 ų
• Cell temperature: 466 ± 2 K
• Ambient diffraction temperature: 466 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No