Information card for entry 4325137

Structure parameters

• Formula: C16 H22 Cl F6 N4 O2 P Ru
• Calculated formula: C16 H21 Cl F6 N4 O2 P Ru
• SMILES: [Ru]12(Cl)(O)(N=O)[N](CC)(CCc3[n]1cccc3)CCc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.7574 ± 0.0002 Å
• b: 12.0307 ± 0.0004 Å
• c: 19.8994 ± 0.0008 Å
• α: 90°
• β: 98.6112 ± 0.0005°
• γ: 90°
• Cell volume: 2072.92 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• 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: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No