Information card for entry 7703330

Structure parameters

• Formula: C23 H28 Cl F3 N4 O6 Ru S
• Calculated formula: C23 H28 Cl F3 N4 O6 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: 12.45753 ± 0.0001 Å
• b: 28.13655 ± 0.00018 Å
• c: 7.85029 ± 0.00006 Å
• α: 90°
• β: 97.1456 ± 0.0007°
• γ: 90°
• Cell volume: 2730.25 ± 0.04 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No