Information card for entry 7011372

Structure parameters

• Formula: C33 H30 O8 Ru3 Si2
• Calculated formula: C33 H30 O8 Ru3 Si2
• SMILES: [Ru]123([Ru]45([Ru]67891(C#[O])(C#[O])[C]34(C2=C(c1ccccc1)c1ccccc1)[CH]6=[C]7([CH]8=[C]59[Si](C)(C)C)[Si](C)(C)C)(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: 11.847 ± 0.007 Å
• b: 19.1 ± 0.005 Å
• c: 17.467 ± 0.007 Å
• α: 90°
• β: 112.49 ± 0.04°
• γ: 90°
• Cell volume: 3652 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.623
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No