Information card for entry 7010116

Structure parameters

• Formula: C25 H8 O15 Ru5
• Calculated formula: C25 H8 O15 Ru5
• SMILES: [Ru]123([Ru]456([Ru]7891([Ru]1([Ru]47(C8=O)(C#[O])(C#[O])(C#[O])[C]591=[C]26=[C]3(C)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[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: 21.794 ± 0.003 Å
• b: 16.8602 ± 0.0018 Å
• c: 32.854 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12072 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No