Information card for entry 7715031

Structure parameters

• Formula: C66 H46 Au3 O12 P3 Ru4
• Calculated formula: C66 H46 Au3 O12 P3 Ru4
• SMILES: [Au]1([Au]([Ru]([Au]1([Ru]1(C(=O)[Ru]2(C#[O])C#[O])(C#[O])(C#[O])C#[O])[P](c3ccccc3)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])C(=O)[Ru]([H]12)(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.2702 ± 0.0019 Å
• b: 14.563 ± 0.002 Å
• c: 18.762 ± 0.003 Å
• α: 108.41 ± 0.004°
• β: 98.613 ± 0.004°
• γ: 109.11 ± 0.004°
• Cell volume: 3118.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No