Information card for entry 7010202

Structure parameters

• Formula: C28 H12 O12 Ru4
• Calculated formula: C28 H12 O12 Ru4
• SMILES: [Ru]123([Ru]45([Ru]67([Ru]14(C#[O])(C#[O])(C#[O])[C]7(=[CH]6c1ccccc1)[C]25=[CH]3c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Novel coordination modes of partially hydrogenated diyne ligands on metal carbonyl clusters †
• Authors of publication: Clarke, Lionel P.; Davies, John E.; Raithby, Paul R.; Shields, Gregory P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4527
• a: 10.748 ± 0.003 Å
• b: 18.891 ± 0.004 Å
• c: 15.778 ± 0.003 Å
• α: 90°
• β: 107.87 ± 0.01°
• γ: 90°
• Cell volume: 3049 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections: 0.2145
• Weighted residual factors for significantly intense reflections: 0.0927
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No