Information card for entry 2229139

Structure parameters

• Common name: [18]crown-6 adduct of dimethylindium trifluoromethanesulfonate
• Chemical name: (1,4,7,10,13,16-Hexaoxacyclooctadecane)dimethylindium(III) trifluoromethanesulfonate
• Formula: C15 H30 F3 In O9 S
• Calculated formula: C15 H30 F3 In O9 S
• SMILES: [In]12345(C)(C)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.O=S(=O)([O-])C(F)(F)F
• Title of publication: (1,4,7,10,13,16-Hexaoxacyclooctadecane)dimethylindium(III) trifluoromethanesulfonate
• Authors of publication: Cooper, Benjamin F. T.; Macdonald, Charles L. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m233 - m234
• a: 12.958 ± 0.0019 Å
• b: 12.7242 ± 0.0019 Å
• c: 14.683 ± 0.002 Å
• α: 90°
• β: 112.801 ± 0.002°
• γ: 90°
• Cell volume: 2231.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes