Information card for entry 7010195

Structure parameters

• Formula: C41 H20 O12 Ru4
• Calculated formula: C41 H20 O12 Ru4
• SMILES: [Ru]123([Ru]45([Ru]6781([Ru]14(C#[O])(C#[O])(C#[O])[C]58([C]7(=[C]36c3ccccc3)c3ccccc3)C1=C(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C2=O)(C#[O])C#[O])(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: 9.232 ± 0.003 Å
• b: 14.127 ± 0.005 Å
• c: 15.478 ± 0.003 Å
• α: 83.66 ± 0.02°
• β: 82.26 ± 0.02°
• γ: 74.024 ± 0.018°
• Cell volume: 1917.3 ± 1 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: 0.0408
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No