Information card for entry 7125199

Structure parameters

• Chemical name: [Li([12]crown-4)OTf]
• Formula: C9 H16 F3 Li O7 S
• Calculated formula: C9 H16 F3 Li O7 S
• Title of publication: Synthesis and coordination ability of a partially silicon based crown ether.
• Authors of publication: Reuter, Kirsten; Thiele, Günther; Hafner, Thomas; Uhlig, Frank; von Hänisch, Carsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 90
• Pages of publication: 13265 - 13268
• a: 7.0179 ± 0.0003 Å
• b: 13.5605 ± 0.0006 Å
• c: 14.8661 ± 0.0007 Å
• α: 90°
• β: 96.427 ± 0.002°
• γ: 90°
• Cell volume: 1405.86 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No