Information card for entry 4076615

Structure parameters

• Formula: C33 H20 Au O9 Os3 P
• Calculated formula: C33 H20 Au O9 Os3 P
• SMILES: [Au]1([Os]23([H][Os]4([Os]512([C]13=[C]45C=CC=C1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands
• Authors of publication: Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2961
• a: 9.4965 ± 0.0002 Å
• b: 12.8917 ± 0.0003 Å
• c: 28.5192 ± 0.0006 Å
• α: 86.469 ± 0.001°
• β: 86.732 ± 0.001°
• γ: 88.964 ± 0.001°
• Cell volume: 3478.83 ± 0.13 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: 0.0513
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4078178
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No