Information card for entry 4517150

Structure parameters

• Common name: Ru3
• Formula: C44 H71 Cl2 F3 N3 O4 P3 Ru3 S
• Calculated formula: C44.001 H71 Cl2 F3.003 N3 O4.003 P3 Ru3 S1.001
• 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: 13.4 ± 0.005 Å
• b: 20.266 ± 0.008 Å
• c: 19.218 ± 0.008 Å
• α: 90°
• β: 97.812 ± 0.006°
• γ: 90°
• Cell volume: 5170 ± 4 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: 0.0835
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No