Information card for entry 2015534

Structure parameters

• Chemical name: [1,3-bis(diphenylphosphino)ethane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)
• Formula: C36 H32 N2 O0.66 P2 Ru S2
• Calculated formula: C36 H32 N2 O0.66 P2 Ru S2
• Title of publication: Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]
• Authors of publication: Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m424 - m427
• a: 11.452 ± 0.0002 Å
• b: 22.39 ± 0.0004 Å
• c: 12.871 ± 0.0002 Å
• α: 90°
• β: 91.661 ± 0.001°
• γ: 90°
• Cell volume: 3298.87 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No