Information card for entry 7123706

Structure parameters

• Formula: C22 H27 I N2 Ru
• Calculated formula: C22 H27 I N2 Ru
• Title of publication: Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air
• Authors of publication: Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.2389 ± 0.0002 Å
• b: 7.8105 ± 0.0002 Å
• c: 38.0164 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4227.92 ± 0.15 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No