Information card for entry 7010115

Structure parameters

• Formula: C30 H10 O15 Ru5
• Calculated formula: C30 H10 O15 Ru5
• SMILES: [Ru]123([Ru]456([Ru]781([Ru]4([Ru]57(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[C]268=[C]3=C(c1ccccc1)c1ccccc1)(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: 9.82 ± 0.005 Å
• b: 12.992 ± 0.005 Å
• c: 14.957 ± 0.005 Å
• α: 98.72 ± 0.05°
• β: 104.12 ± 0.06°
• γ: 110.94 ± 0.04°
• Cell volume: 1667.2 ± 1.5 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: 0.0368
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No