Information card for entry 4325139

Structure parameters

• Formula: C16 H20 Cl2 N4 O Ru
• Calculated formula: C16 H20 Cl2 N4 O Ru
• SMILES: [Ru]123(Cl)(Cl)[N](=O)C(C[N]1(CC)CCc1[n]3cccc1)c1[n]2cccc1
• Title of publication: Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm
• Authors of publication: Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4713 - 4724
• a: 8.8374 ± 0.0014 Å
• b: 14.573 ± 0.002 Å
• c: 13.523 ± 0.002 Å
• α: 90°
• β: 95.4396 ± 0.0005°
• γ: 90°
• Cell volume: 1733.7 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0231
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No