Information card for entry 7011371

Structure parameters

• Formula: C39 H22 O8 Ru3
• Calculated formula: C39 H22 O8 Ru3
• SMILES: [Ru]123([Ru]45([Ru]67891(C#[O])(C#[O])[C]34(C2=C(c1ccccc1)c1ccccc1)[C]6(=[CH]7[CH]8=[C]59c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Some reactions of allenylidene-ruthenium cluster carbonyls with alkynes
• Authors of publication: Michael I. Bruce; Natasha N. Zaitseva; Brian W. Skelton; Allan H. White
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1678 - 1686
• a: 17.99 ± 0.004 Å
• b: 17.483 ± 0.007 Å
• c: 13.184 ± 0.005 Å
• α: 107.88 ± 0.03°
• β: 103.46 ± 0.02°
• γ: 108.7 ± 0.02°
• Cell volume: 3477 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No