Information card for entry 7009631

Structure parameters

• Formula: C26 H6 O17 Ru5 W
• Calculated formula: C26 H6 O17 Ru5 W
• SMILES: [Ru]12(C#[O])(C#[O])(C#[O])[Ru]345(C#[O])(C#[O])(C#[O])[Ru]61(C#[O])(C#[O])(C#[O])([H]5)[C]23=[C]46[C]12[Ru]3(C#[O])(C#[O])(C#[O])[C]=2([Ru]13(C#[O])(C#[O])C#[O])[W]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 8.55 ± 0.003 Å
• b: 24.014 ± 0.01 Å
• c: 16.669 ± 0.006 Å
• α: 90°
• β: 90.34 ± 0.03°
• γ: 90°
• Cell volume: 3422 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 1.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No