Information card for entry 4079809

Structure parameters

• Formula: C13 H18 Cl F6 N O4 Ru S4
• Calculated formula: C13 H18 Cl F6 N O4 Ru S4
• SMILES: [Ru]123456([S](CCC[S]1C)C)(Cl)[cH]1[cH]5[cH]4[cH]2[cH]3[cH]61.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes
• Authors of publication: Mori, Shotaro; Mochida, Tomoyuki
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 780
• a: 6.5081 ± 0.001 Å
• b: 14.387 ± 0.002 Å
• c: 23.301 ± 0.004 Å
• α: 90°
• β: 92.892 ± 0.002°
• γ: 90°
• Cell volume: 2178.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.2014
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No