Information card for entry 4079325

Structure parameters

• Formula: C111 H88 Au4 Ir4 O9 P4
• Calculated formula: C111 H88 Au4 Ir4 O9 P4
• SMILES: [Ir]12345(C#[O])(C#[O])([Au]6([Au]74([Au]3([Au]567[P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[Ir]345([Ir]61(C3=O)([Ir]24(C5=O)(C6=O)(C#[O])C#[O])(c1ccccc1)C#[O])(c1ccccc1)C#[O].c1ccccc1.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: 13.8353 ± 0.0015 Å
• b: 19.656 ± 0.002 Å
• c: 19.87 ± 0.002 Å
• α: 75.375 ± 0.002°
• β: 74.007 ± 0.002°
• γ: 75.261 ± 0.002°
• Cell volume: 4925.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No