Information card for entry 4325132

Structure parameters

• Formula: C22 H30 F12 N6 P2 Ru
• Calculated formula: C22 H30 F12 N6 P2 Ru
• SMILES: [Ru]12([N]#CC)([N]#CC)([N]#CC)[N](CC)(CCc3[n]1cccc3)CCc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[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: 12.5691 ± 0.0002 Å
• b: 13.1846 ± 0.0002 Å
• c: 18.6141 ± 0.0004 Å
• α: 86.411 ± 0.003°
• β: 83.31 ± 0.003°
• γ: 78.752 ± 0.003°
• Cell volume: 3002.33 ± 0.1 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No