Information card for entry 4065848

Structure parameters

• Formula: C16 H21 Cl3 N3 Ru
• Calculated formula: C16 H21 Cl3 N3 Ru
• SMILES: [Ru]12(Cl)(Cl)(Cl)[N](CC)(CCc3[n]1cccc3)CCc1[n]2cccc1
• Title of publication: Formation and Structure of an (Iminium ion)ruthenium Complex and Reaction of the Iminium Ion Moiety with Alcohols
• Authors of publication: Fukui, Sohei; Suzuki, Noriyuki; Wada, Tohru; Tanaka, Koji; Nagao, Hirotaka
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1534
• a: 7.7766 ± 0.0002 Å
• b: 14.6864 ± 0.0004 Å
• c: 15.2361 ± 0.0005 Å
• α: 90°
• β: 100.205 ± 0.0005°
• γ: 90°
• Cell volume: 1712.59 ± 0.09 ų
• Cell temperature: 93 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 significantly intense reflections: 0.0267
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No