Information card for entry 7008892

Structure parameters

• Formula: C25 H14 O10 Ru3
• Calculated formula: C25 H14 O10 Ru3
• SMILES: [Ru]12([Ru]34([Ru]5(C#[O])(C#[O])(C#[O])([C]24=[C]5=C(c2ccccc2)c2ccccc2)[O]3C)(C#[O])(C#[O])(C#[O])[H]1)(C#[O])(C#[O])C#[O]
• Title of publication: Preparation and structural characterisation of some ruthenium cluster carbonyls containing allenylidene ligands †
• Authors of publication: Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 881
• a: 19.279 ± 0.002 Å
• b: 18.672 ± 0.002 Å
• c: 7.7598 ± 0.0009 Å
• α: 90.257 ± 0.002°
• β: 97.639 ± 0.002°
• γ: 99.825 ± 0.002°
• Cell volume: 2726.9 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.084
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.408
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No