Information card for entry 2021587

Structure parameters

• Chemical name: Bis(μ-formato-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>)
• Formula: C48 H44 O8 Os2 P2
• Calculated formula: C48 H44 O8 Os2 P2
• SMILES: [Os]12([P](c3ccc(cc3)C)(c3ccc(cc3)C)c3ccc(cc3)C)([O]=CO[Os]1([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([O]=CO2)(C#[O])C#[O])(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: 10.7707 ± 0.0004 Å
• b: 10.8014 ± 0.0004 Å
• c: 20.379 ± 0.0007 Å
• α: 104.393 ± 0.001°
• β: 91.009 ± 0.001°
• γ: 98.993 ± 0.001°
• Cell volume: 2264.27 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 199.94 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: 0.0375
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes