Information card for entry 7011376

Structure parameters

• Formula: C50 H34 O10 Ru3
• Calculated formula: C50 H34 O10 Ru3
• SMILES: [Ru]1234([Ru]56([Ru]1(C#[O])(C#[O])(C#[O])([C]6([C]35=[C]2(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1)[OH]4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1ccccc1.c1ccccc1
• 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: 10.8403 ± 0.001 Å
• b: 11.3445 ± 0.001 Å
• c: 19.726 ± 0.002 Å
• α: 82.429 ± 0.002°
• β: 88.921 ± 0.002°
• γ: 68.909 ± 0.002°
• Cell volume: 2242.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.054
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No