Information card for entry 7027030

Structure parameters

• Formula: C15 H7 Ir O11 Ru3
• Calculated formula: C15 H7 Ir O11 Ru3
• SMILES: [Ir]123([Ru]456([H][Ru]725([Ru]214([C]6(=[C]72C)C)(C3=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Triruthenium‒iridium clusters containing alkyne ligands: synthesis, structure, and catalytic implications of [(μ-H)IrRu3(CO)11(μ3-η2-PhCCPh)] and [IrRu3(CO)10(μ4-η2-PhCCPh)(μ-η2-PhCCHPh)]
• Authors of publication: Ferrand, Vincent; Süss-Fink, Georg; Neels, Antonia; Stoeckli-Evans, Helen
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3825
• a: 14.0189 ± 0.0012 Å
• b: 9.6264 ± 0.0015 Å
• c: 15.7007 ± 0.0006 Å
• α: 90°
• β: 90.005 ± 0.005°
• γ: 90°
• Cell volume: 2118.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No