Information card for entry 2021582

Structure parameters

• Chemical name: Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>)
• Formula: C30 H27 O9 Os2 P
• Calculated formula: C30 H27 O9 Os2 P
• SMILES: c1(ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)[Os]12(C#[O])(C#[O])[O]=C(C)O[Os]2(C#[O])(C#[O])(C#[O])[O]=C(C)O1
• 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: 10.452 ± 0.004 Å
• b: 11.229 ± 0.004 Å
• c: 13.045 ± 0.005 Å
• α: 82.813 ± 0.006°
• β: 89.157 ± 0.008°
• γ: 89.457 ± 0.009°
• Cell volume: 1518.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0216
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes