Information card for entry 4064254

Structure parameters

• Formula: C37 H35 Ir4 N O11 Sn
• Calculated formula: C37 H35 Ir4 N O11 Sn
• SMILES: [Ir]1234([Ir]56([Ir]1([Ir]25(C#[O])(C#[O])C#[O])(C6=O)(C4=O)(C#[O])C#[O])(C3=O)(C#[O])C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: A New Method for Introducing Tin Ligands into Tetrairidium Dodecacarbonyl
• Authors of publication: Adams, Richard D.; Chen, Mingwei; Trufan, Eszter; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 661
• a: 11.4876 ± 0.0005 Å
• b: 13.0624 ± 0.0006 Å
• c: 14.9583 ± 0.0007 Å
• α: 84.581 ± 0.001°
• β: 87.858 ± 0.001°
• γ: 77.745 ± 0.001°
• Cell volume: 2183.28 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No