Information card for entry 7010200

Structure parameters

• Formula: C18 H8 O12 Ru4
• Calculated formula: C18 H8 O12 Ru4
• SMILES: C(#[O])[Ru]123(C#[O])(C#[O])[CH](C)=[C]41[Ru]12(C#[O])(C#[O])(C#[O])[Ru]25(C#[O])(C#[O])(C#[O])[CH](C)=[C]42[Ru]315(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: 13.257 ± 0.003 Å
• b: 9.861 ± 0.002 Å
• c: 19.176 ± 0.003 Å
• α: 90°
• β: 111.64 ± 0.01°
• γ: 90°
• Cell volume: 2330.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.1709
• Weighted residual factors for significantly intense reflections: 0.0946
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No