Information card for entry 4078236

Structure parameters

• Formula: C47 H30 Au2 Ir4 O11 P2
• Calculated formula: C47 H30 Au2 Ir4 O11 P2
• SMILES: [Ir]12([Ir]3456([Ir]781([Au]5[P](c1ccccc1)(c1ccccc1)c1ccccc1)([Ir]23([Au]47[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C8=O)(C6=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 13.3377 ± 0.0003 Å
• b: 13.3377 ± 0.0003 Å
• c: 48.755 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7511.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No