Information card for entry 4078234

Structure parameters

• Formula: C35 H20 Au Ir4 O11 P
• Calculated formula: C35 H20 Au Ir4 O11 P
• SMILES: [Ir]123([Ir]456([Ir]71([Ir]24(C6=O)(C7=O)(C#[O])C#[O])(C5=O)(C#[O])C#[O])([Au]3[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)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: 13.5055 ± 0.0006 Å
• b: 16.7314 ± 0.0008 Å
• c: 17.2324 ± 0.0008 Å
• α: 90°
• β: 97.638 ± 0.001°
• γ: 90°
• Cell volume: 3859.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No