Information card for entry 4085127

Structure parameters

• Formula: C26 H34 Fe3 Ir N O10
• Calculated formula: C26 H34 Fe3 Ir N O10
• SMILES: [Fe]12345([Fe]67([Fe]891([Ir]1%10%1126([H]38)([H]7)(C4=O)(C9=O)[CH]2=[CH]1CC[CH]%10=[CH]%11CC2)(C5=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: [H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters
• Authors of publication: Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 189
• a: 16.4813 ± 0.0009 Å
• b: 16.3435 ± 0.0009 Å
• c: 22.2827 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6002.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No