Information card for entry 4087371

Structure parameters

• Formula: C17 H23 F2 N O7 Ru S2
• Calculated formula: C17 H23 F2 N O7 Ru S2
• SMILES: O=S(=O)(F)N=S([O-])(=O)F.[cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[cH]2[cH]7[c]9([c]8([c]6([cH]12)OCC)OCC)OCC
• Title of publication: Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths
• Authors of publication: Ueda, Takahiro; Mochida, Tomoyuki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1279
• a: 10.3045 ± 0.0013 Å
• b: 12.262 ± 0.0015 Å
• c: 17.288 ± 0.002 Å
• α: 90°
• β: 95.673 ± 0.002°
• γ: 90°
• Cell volume: 2173.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No