Information card for entry 7715032

Structure parameters

• Formula: C84 H60 Au4 O12 P4 Ru4
• Calculated formula: C84 H60 Au4 O12 P4 Ru4
• SMILES: [Au]12345([Au]6([P](c7ccccc7)(c7ccccc7)c7ccccc7)[Ru]789%104([Au]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)([Ru]238([Au]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ru]569([Ru]72(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C%10=O)(C#[O])C#[O])[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: 21.68 ± 0.012 Å
• b: 15.264 ± 0.009 Å
• c: 28.654 ± 0.017 Å
• α: 90°
• β: 92.504 ± 0.015°
• γ: 90°
• Cell volume: 9473 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No