Information card for entry 7709212

Structure parameters

• Formula: C19 H21 N O11 Ru3
• Calculated formula: C19 H21 N O11 Ru3
• SMILES: [Ru]123([H][Ru]1([Ru]2(C#[O])(C#[O])(C#[O])C#[O])(C3=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion
• Authors of publication: Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.3458 ± 0.001 Å
• b: 11.7217 ± 0.0009 Å
• c: 17.4163 ± 0.0015 Å
• α: 90°
• β: 97.81 ± 0.003°
• γ: 90°
• Cell volume: 2497 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No