Information card for entry 7160919

Structure parameters

• Formula: C26 H29 I N2 Ru
• Calculated formula: C26 H29 I N2 Ru
• Title of publication: N-Heterocyclic Carbene Ruthenium Complexes Synthesized by Hydrogen-Bonding-Assisted Strategy for Dehydrogenative Rearrangement of Esters
• Authors of publication: Gong, Zhi-Yuan; Tao, Sheng; Li, Xiao-Bin; Wang, Tao; Chen, Fei; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Liu, Ning
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 12.2763 ± 0.0004 Å
• b: 11.1841 ± 0.0004 Å
• c: 17.7735 ± 0.0006 Å
• α: 90°
• β: 104.015 ± 0.001°
• γ: 90°
• Cell volume: 2367.65 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No