Information card for entry 4078235

Structure parameters

• Formula: C58 H42 Au2 Ir4 O10 P2
• Calculated formula: C58 H42 Au2 Ir4 O10 P2
• SMILES: [Ir]1234([Ir]56([Ir]78([Au]26[P](c2ccccc2)(c2ccccc2)c2ccccc2)([Ir]15([Au]38[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C7=O)(C#[O])C#[O])(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])C#[O].c1ccccc1.c1ccccc1
• 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: 10.225 ± 0.0004 Å
• b: 15.1704 ± 0.0006 Å
• c: 19.2345 ± 0.0007 Å
• α: 94.858 ± 0.001°
• β: 102.439 ± 0.001°
• γ: 98.277 ± 0.001°
• Cell volume: 2862.48 ± 0.19 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: 0.0885
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No