Information card for entry 1558123

Structure parameters

• Formula: C21 H21 B0.43 F1.72 I0.57 N2 S2
• Calculated formula: C21 H21 B0.4296 F1.7184 I0.5704 N2 S2
• 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: 17.7575 ± 0.0009 Å
• b: 19.0198 ± 0.0008 Å
• c: 15.2682 ± 0.0007 Å
• α: 90°
• β: 114.649 ± 0.006°
• γ: 90°
• Cell volume: 4686.9 ± 0.4 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No