Information card for entry 4080528

Structure parameters

• Formula: C44 H24 Au O10 Os3 P
• Calculated formula: C44 H24 Au O10 Os3 P
• SMILES: [Os]123([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([Au]2[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])[C]13=Cc2c3c(=C1)ccc1cccc(c31)cc2)(C#[O])(C#[O])C#[O]
• Title of publication: Dynamic Rotation of Bridging Aryl Ligands in Unsaturated Metal Carbonyl Cluster Complexes
• Authors of publication: Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1587
• a: 12.5312 ± 0.0007 Å
• b: 12.7679 ± 0.0007 Å
• c: 14.9324 ± 0.0008 Å
• α: 83.943 ± 0.002°
• β: 66.915 ± 0.001°
• γ: 72.7 ± 0.001°
• Cell volume: 2098.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No