Information card for entry 4087916

Structure parameters

• Chemical name: DS-23
• Formula: C18 H18 F3 N2 O3 P S
• Calculated formula: C18 H18 F3 N2 O3 P S
• SMILES: P(c1[n+](cn(c1)C)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability
• Authors of publication: Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5129
• a: 9.4819 ± 0.0004 Å
• b: 33.8725 ± 0.0015 Å
• c: 12.045 ± 0.0006 Å
• α: 90°
• β: 90.012 ± 0.002°
• γ: 90°
• Cell volume: 3868.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No