Information card for entry 7009633

Structure parameters

• Formula: C21 H6 O12 Ru3 W
• Calculated formula: C21 H5 O12 Ru3 W
• SMILES: [Ru]12([Ru]34([Ru]51(C#[O])(C#[O])(C#[O])[C]23=[C]45C#C[W]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Syntheses and reactions of some cluster complexes containing C4 ligands with iron, ruthenium and cobalt carbonyls
• Authors of publication: Bruce, Michael I.; Low, Paul J.; Zaitseva, Natasha N.; Kahlal, Samia; Halet, Jean-François; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2939
• a: 12.894 ± 0.009 Å
• b: 11.513 ± 0.01 Å
• c: 10.121 ± 0.003 Å
• α: 101.31 ± 0.05°
• β: 108.93 ± 0.04°
• γ: 104.19 ± 0.06°
• Cell volume: 1314.1 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections: 2.1
• Goodness-of-fit parameter for all reflections included in the refinement: 2.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No