Information card for entry 7703329

Structure parameters

• Formula: C23 H28.6 Cl F3 N4 O6.3 Ru S
• Calculated formula: C23 H28.602 Cl F3 N4 O6.301 Ru S
• 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: 9.7705 ± 0.0002 Å
• b: 10.1541 ± 0.0003 Å
• c: 16.0919 ± 0.0005 Å
• α: 75.559 ± 0.003°
• β: 78.781 ± 0.002°
• γ: 62.824 ± 0.003°
• Cell volume: 1369.33 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No