Information card for entry 7715028

Structure parameters

• Formula: C58 H55 Au2 Cl4 N O12 P2 Ru4
• Calculated formula: C58 H55 Au2 Cl4 N O12 P2 Ru4
• SMILES: [Au]123([Au]4([Ru]25([Ru]342(C#[O])(C(=O)[Ru]([H]52)(C#[O])(C#[O])C#[O])C#[O])(C(=O)[Ru]1(C#[O])(C#[O])C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC.C(Cl)Cl.C(Cl)Cl
• Title of publication: Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal analogy, structural isomerism, and fluxionality.
• Authors of publication: Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Forti, Francesca; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 3865 - 3879
• a: 14.5146 ± 0.0008 Å
• b: 14.8691 ± 0.0008 Å
• c: 15.0629 ± 0.0009 Å
• α: 90.759 ± 0.002°
• β: 95.483 ± 0.002°
• γ: 96.132 ± 0.002°
• Cell volume: 3216.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No