Information card for entry 7062756

Structure parameters

• Formula: C12 H3 Ir O12 Ru3
• Calculated formula: C12 H3 Ir O12 Ru3
• SMILES: [Ru]12([H][Ru]3([H][Ru]([H]1)([Ir]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions
• Authors of publication: Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 19289 - 19303
• a: 8.2134 ± 0.0005 Å
• b: 9.0794 ± 0.0006 Å
• c: 13.519 ± 0.0008 Å
• α: 82.711 ± 0.002°
• β: 80.357 ± 0.002°
• γ: 68.689 ± 0.002°
• Cell volume: 923.55 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No