Information card for entry 4066578

Structure parameters

• Formula: C77 H98 B4 Cl6 F16 N6 P2 Ru2 S4
• Calculated formula: C77 H98 B4 Cl6 F16 N6 P2 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: 10.4883 ± 0.0002 Å
• b: 10.9532 ± 0.0002 Å
• c: 38.8742 ± 0.0007 Å
• α: 90°
• β: 91.845 ± 0.001°
• γ: 90°
• Cell volume: 4463.57 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No