Information card for entry 7009632

Structure parameters

• Formula: C44 H28 O10 P2 Ru3 W
• Calculated formula: C44 H28 O10 P2 Ru3 W
• SMILES: [Ru]123([Ru]456([Ru]71(C#[O])(C#[O])([C]24=[C]57C#C[W]1245(C#[O])(C#[O])(C#[O])[cH]7[cH]1[cH]2[cH]4[cH]57)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[H]6)(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: 16.066 ± 0.013 Å
• b: 15.25 ± 0.011 Å
• c: 18.27 ± 0.02 Å
• α: 90°
• β: 95.15 ± 0.08°
• γ: 90°
• Cell volume: 4458 ± 7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.064
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.856
• Goodness-of-fit parameter for all reflections included in the refinement: 2.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No