Information card for entry 4081890

Structure parameters

• Formula: C37 H22 Au O9 Os3 P
• Calculated formula: C37 H22 Au O9 Os3 P
• SMILES: [Os]1234([Os]56([Os]1([H]3)([C]16=[C]45C=Cc3c1cccc3)(C#[O])(C#[O])C#[O])([Au]2[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations
• Authors of publication: Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6368
• a: 9.1719 ± 0.0005 Å
• b: 16.0279 ± 0.0009 Å
• c: 25.9591 ± 0.0014 Å
• α: 90°
• β: 91.298 ± 0.001°
• γ: 90°
• Cell volume: 3815.2 ± 0.4 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: 0.0599
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No