Information card for entry 7008896

Structure parameters

• Formula: C24 H12 O9 Ru3
• Calculated formula: C24 H12 O9 Ru3
• SMILES: [Ru]1234([Ru]5([Ru]61(C#[O])(C#[O])(C#[O])([C]25=[C]6=C(c1ccccc1)c1ccccc1)[H]4)(C#[O])(C#[O])(C#[O])[H]3)(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: 10.477 ± 0.003 Å
• b: 12.434 ± 0.003 Å
• c: 20.465 ± 0.009 Å
• α: 90°
• β: 105.19 ± 0.03°
• γ: 90°
• Cell volume: 2572.9 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for all reflections: 1.363
• Goodness-of-fit parameter for significantly intense reflections: 1.499
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No