Information card for entry 4066579

Structure parameters

• Formula: C50 H80 Ag2 B4 Cl2 F16 N12 Ru2 S4
• Calculated formula: C50 H80 Ag2 B4 Cl2 F16 N12 Ru2 S4
• Title of publication: Pyridine-2,6-bis(thioether) (SNS) Complexes of Ruthenium as Catalysts for Transfer Hydrogenation
• Authors of publication: Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3790
• a: 9.9625 ± 0.0002 Å
• b: 13.7722 ± 0.0002 Å
• c: 13.8646 ± 0.0002 Å
• α: 80.066 ± 0.001°
• β: 87.47 ± 0.001°
• γ: 74.847 ± 0.001°
• Cell volume: 1808.63 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No