Information card for entry 7010201

Structure parameters

• Formula: C28 H12 O12 Ru4
• Calculated formula: C28 H12 O12 Ru4
• SMILES: [Ru]123([Ru]456([Ru]78([Ru]914(C#[O])(C#[O])(C7=O)[C]8(Cc1ccccc1)=[C]59=[C]36c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C2=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: 19.012 ± 0.004 Å
• b: 9.359 ± 0.002 Å
• c: 34.315 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6106 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.2325
• Weighted residual factors for significantly intense reflections: 0.1438
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No