Information card for entry 4079322

Structure parameters

• Formula: C51 H24 Au Ir4 O11 P
• Calculated formula: C51 H24 Au Ir4 O11 P
• SMILES: [Ir]12345([Ir]6([Ir]71([Ir]26(C4=O)(C7=O)(C#[O])C#[O])(C5=O)(C#[O])C#[O])([Au]3[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])c1cc2ccc3cccc4c3c2c(cc4)c1.c1ccccc1
• Title of publication: Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands
• Authors of publication: Adams, Richard D.; Chen, Mingwei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6457
• a: 36.675 ± 0.015 Å
• b: 15.048 ± 0.006 Å
• c: 17.918 ± 0.007 Å
• α: 90°
• β: 99.71 ± 0.009°
• γ: 90°
• Cell volume: 9747 ± 7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No