Information card for entry 1558122

Structure parameters

• Formula: C22 H23 Cl2 I N2 S2
• Calculated formula: C22 H23 Cl2 I N2 S2
• SMILES: c12ccccc1N(/C(=C/C=C/c1[n+](c3c(cccc3)s1)CC)S2)CC.C(Cl)Cl.[I-]
• Title of publication: The effect of structural heterogeneity upon the microviscosity of ionic liquids.
• Authors of publication: Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6121 - 6133
• a: 7.9187 ± 0.0004 Å
• b: 12.1261 ± 0.0007 Å
• c: 13.0689 ± 0.0006 Å
• α: 82.67 ± 0.004°
• β: 78.619 ± 0.004°
• γ: 79.315 ± 0.005°
• Cell volume: 1203.5 ± 0.11 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173.05 ± 0.1 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 all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No