Information card for entry 7119586

Structure parameters

• Chemical name: 6,6"-(2,4,6-trimethylphenylamino terpyridine)-bis-triphenylphosphino-hydrido-ruthenium hexafluorophosphate
• Formula: C83 H80 F6 N5 P3 Ru
• Calculated formula: C83 H80 F6 N5 P3 Ru
• Title of publication: Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates.
• Authors of publication: Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 2287 - 2289
• a: 13.1893 ± 0.0002 Å
• b: 13.5036 ± 0.0003 Å
• c: 20.9744 ± 0.0015 Å
• α: 89.405 ± 0.006°
• β: 87.338 ± 0.006°
• γ: 67.798 ± 0.005°
• Cell volume: 3454.8 ± 0.3 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No