Information card for entry 7010194

Structure parameters

• Formula: C38 H20 O9 Ru3
• Calculated formula: C38 H20 O9 Ru3
• SMILES: [Ru]123([Ru]456(C#[O])(C#[O])(C1=O)[C]2(=[C]4([C]15[Ru]24(C#[O])(C#[O])(C#[O])[C]([C]36=1)(=[C]12[CH]4C=CC=C1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of multi-site bound allenylidene towards alkynes and silica gel †
• Authors of publication: Charmant, Jonathan P. H.; King, Philip J.; Quesada-Pato, Roberto; Sappa, Enrico; Schaefer, Carsten
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 46
• a: 13.279 ± 0.002 Å
• b: 17.3738 ± 0.0016 Å
• c: 15.161 ± 0.002 Å
• α: 90°
• β: 102.732 ± 0.009°
• γ: 90°
• Cell volume: 3411.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No