Information card for entry 4068213

Structure parameters

• Formula: C20 H12 O16 Ru6
• Calculated formula: C20 H12 O16 Ru6
• SMILES: C12(C)[Ru]345([H][Ru]67824(C#[O])(C#[O])[Ru]13(C#[O])(C#[O])([H]5)([H]6[Ru]12348(C5(C)[Ru]63([H][Ru]456([H]72)(C#[O])(C#[O])C#[O])([H]1)(C#[O])(C#[O])C#[O])(C#[O])C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Bonding and Reactivity in the Electronically Unsaturated Hydrogen-Bridged Dimer [Ru3(CO)8(μ3-CMe)(μ-H)2(μ3-H)]2
• Authors of publication: Adams, Richard D.; Kan, Yuwei; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 50
• a: 8.2723 ± 0.0004 Å
• b: 8.5713 ± 0.0004 Å
• c: 11.9281 ± 0.0006 Å
• α: 108.264 ± 0.001°
• β: 105.717 ± 0.001°
• γ: 98.202 ± 0.001°
• Cell volume: 748.78 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0216
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No