Information card for entry 2021585

Structure parameters

• Chemical name: Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>)
• Formula: C32 H31 O9 Os2 P
• Calculated formula: C32 H31 O9 Os2 P
• SMILES: [Os]12([Os]([O]=C(O1)CC)(OC(=[O]2)CC)(C#[O])(C#[O])C#[O])([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#[O])C#[O]
• Title of publication: Asymmetric diosmium sawhorse complexes
• Authors of publication: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 529 - 537
• a: 10.0952 ± 0.0002 Å
• b: 11.663 ± 0.0003 Å
• c: 13.7536 ± 0.0003 Å
• α: 88.6185 ± 0.0019°
• β: 86.7627 ± 0.0018°
• γ: 86.9563 ± 0.0019°
• Cell volume: 1614.13 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes