Information card for entry 2021583

Structure parameters

• Chemical name: Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>) <i>p</i>-xylene sesquisolvate
• Formula: C62 H63 O8 Os2 P2
• Calculated formula: C62 H63 O8 Os2 P2
• SMILES: C(#[O])[Os]12(C#[O])([O]=C(C)O[Os]2(C#[O])(C#[O])([O]=C(C)O1)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.c1(ccc(cc1)C)C.c1cc(ccc1C)C
• 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: 12.81225 ± 0.00016 Å
• b: 14.8455 ± 0.0002 Å
• c: 16.6818 ± 0.0002 Å
• α: 98.1785 ± 0.0011°
• β: 101.79 ± 0.0011°
• γ: 113.385 ± 0.0014°
• Cell volume: 2761.39 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No