Information card for entry 4064255

Structure parameters

• Formula: C62 H67 Ir4 N O10 Sn2
• Calculated formula: C62 H67 Ir4 N O10 Sn2
• SMILES: [Ir]123([Ir]4([Ir]1([Ir]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)([H]3)(C#[O])C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 17.4174 ± 0.0005 Å
• b: 18.1114 ± 0.0005 Å
• c: 21.109 ± 0.0006 Å
• α: 90°
• β: 104.08 ± 0.001°
• γ: 90°
• Cell volume: 6458.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No