Information card for entry 2021586

Structure parameters

• Chemical name: Bis(μ-propanoato-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>), dichloromethane monosolvate
• Formula: C53 H54 Cl2 O8 Os2 P2
• Calculated formula: C53 H54 Cl2 O8 Os2 P2
• 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: 18.4968 ± 0.0006 Å
• b: 18.7369 ± 0.0007 Å
• c: 14.9214 ± 0.0006 Å
• α: 90°
• β: 91.806 ± 0.002°
• γ: 90°
• Cell volume: 5168.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No