Information card for entry 7224570

Structure parameters

• Formula: C20 H29 F2 N O5 Ru S2
• Calculated formula: C20 H29 F2 N O5 Ru S2
• SMILES: [Ru]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)[cH]1[cH]5[c]6([cH]7[cH]8[cH]91)OCCCCCCCCC.S(=O)(=O)(F)N=S([O-])(=O)F
• Title of publication: Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.
• Authors of publication: Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 10041 - 10048
• a: 7.928 ± 0.003 Å
• b: 9.542 ± 0.004 Å
• c: 16.403 ± 0.006 Å
• α: 98.073 ± 0.005°
• β: 101.571 ± 0.004°
• γ: 103.61 ± 0.004°
• Cell volume: 1158.3 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No