Information card for entry 7703331

Structure parameters

• Formula: C21 H26 F6 N8 O6 Ru S2
• Calculated formula: C21 H26 F6 N8 O6 Ru S2
• Title of publication: Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O₂ as terminal oxidant.
• Authors of publication: Olivares, Marta; Knörr, Pascal; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1981 - 1991
• a: 11.2395 ± 0.0001 Å
• b: 12.4783 ± 0.0001 Å
• c: 12.5536 ± 0.0001 Å
• α: 69.862 ± 0.001°
• β: 87.934 ± 0.001°
• γ: 69.49 ± 0.001°
• Cell volume: 1541.05 ± 0.03 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No