Information card for entry 4079324

Structure parameters

• Formula: C99 H77 Au3 Ir4 O9 P4
• Calculated formula: C99 H77 Au3 Ir4 O9 P4
• SMILES: c1ccc([Ir]2345([Ir]678([Ir]92([Ir]37([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C4=O)(C9=O)C#[O])(C5=O)(C#[O])C#[O])([Au]2([Au]6([Au]82[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)(C#[O])C#[O])C#[O])cc1.c1ccccc1.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: 13.1907 ± 0.0008 Å
• b: 14.109 ± 0.0008 Å
• c: 25.7346 ± 0.0015 Å
• α: 87.811 ± 0.001°
• β: 79.125 ± 0.001°
• γ: 79.825 ± 0.001°
• Cell volume: 4629.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No