Information card for entry 4078237

Structure parameters

• Formula: C65 H46 Au2 Cl2 Ir4 O10 P3
• Calculated formula: C65 H46 Au2 Cl2 Ir4 O10 P3
• SMILES: [Ir]12345([Ir]67([Ir]891([Ir]26([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C5=O)(C9=O)C#[O])([Au]37([Au]48[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement
• Authors of publication: Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3588
• a: 15.858 ± 0.0008 Å
• b: 23.855 ± 0.0013 Å
• c: 17.3821 ± 0.0009 Å
• α: 90°
• β: 95.644 ± 0.001°
• γ: 90°
• Cell volume: 6543.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No