Information card for entry 7160921

Structure parameters

• Formula: C19 H24 I2 N2 Ru
• Calculated formula: C19 H24 I2 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: 15.5995 ± 0.0004 Å
• b: 7.9181 ± 0.0002 Å
• c: 16.7838 ± 0.0005 Å
• α: 90°
• β: 98.011 ± 0.001°
• γ: 90°
• Cell volume: 2052.88 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No