Information card for entry 4074849

Structure parameters

• Formula: C39 H26 N2 O10 Ru5
• Calculated formula: C39 H26 N2 O10 Ru5
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]3456([C]78([C]93(/C=C/c3ccccc3)[Ru]3%1025(C(=O)[Ru]289%10(C#[O])(C#[O])N143[Ru]13458672[c]2([cH]1[cH]3[cH]4[cH]5[cH]82)C)(C#[O])C#[O])c1ccccc1)(C#[O])C#[O]
• Title of publication: Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1492 - 1499
• a: 13.978 ± 0.006 Å
• b: 15.679 ± 0.007 Å
• c: 18.975 ± 0.008 Å
• α: 90°
• β: 111.098 ± 0.008°
• γ: 90°
• Cell volume: 3880 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0438
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No