Information card for entry 4517149

Structure parameters

• Common name: Ru2
• Formula: C36 H58 Cl3 F3 N2 O7 P2 Ru2 S
• Calculated formula: C36 H58 Cl3 F3 N2 O7 P2 Ru2 S
• Title of publication: Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols
• Authors of publication: Cherepakhin, Valeriy; Williams, Travis J.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 56
• a: 17.416 ± 0.004 Å
• b: 15.909 ± 0.004 Å
• c: 17.479 ± 0.004 Å
• α: 90°
• β: 111.302 ± 0.003°
• γ: 90°
• Cell volume: 4512.1 ± 1.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No