Information card for entry 4081892

Structure parameters

• Formula: C45 H26 Au Cl2 O10 Os3 P
• Calculated formula: C45 H26 Au Cl2 O10 Os3 P
• SMILES: [Au]1([Os]23([Os]1([Os]2(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[c]13c2cccc3c2c2c(cc3)cccc2c1)(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 12.716 ± 0.003 Å
• b: 13.105 ± 0.003 Å
• c: 15.765 ± 0.004 Å
• α: 72.071 ± 0.006°
• β: 73.087 ± 0.006°
• γ: 68.724 ± 0.005°
• Cell volume: 2281.1 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No