Information card for entry 4071640

Structure parameters

• Formula: C25 H28 Cl N3 Ru
• Calculated formula: C25 H28 Cl N3 Ru
• SMILES: [Ru]123456(Cl)([n]7c(n(c8c7cccc8)c7ncccc7)C[CH]5=[CH2]6)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol
• Authors of publication: Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2176
• a: 11.117 ± 0.006 Å
• b: 10.159 ± 0.005 Å
• c: 19.476 ± 0.01 Å
• α: 90°
• β: 94.941 ± 0.007°
• γ: 90°
• Cell volume: 2191 ± 2 ų
• Cell temperature: 193.1 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 significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No