Information card for entry 7010114

Structure parameters

• Formula: C25 H10 O10 Ru3
• Calculated formula: C25 H10 O10 Ru3
• SMILES: [Ru]123([Ru]45([Ru]1([C]24=[C]5=C(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C3=O)C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Acid promoted formation of tri- and penta-ruthenium allenylidene complexes
• Authors of publication: Charmant, Jonathan P. H.; Crawford, Paul; King, Philip J.; Quesada-Pato, Roberto; Sappa, Enrico
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4390
• a: 10.2048 ± 0.0018 Å
• b: 11.1782 ± 0.0015 Å
• c: 12.417 ± 0.002 Å
• α: 73.383 ± 0.011°
• β: 85.05 ± 0.02°
• γ: 72.56 ± 0.02°
• Cell volume: 1294.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0207
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No