Information card for entry 7016523

Structure parameters

• Common name: sodium ditetrahydrofurane tetrakis(hexafluoroisoproxy)borate
• Chemical name: sodium ditetrahydrofurane tetrakis(hexafluoroisoproxy)borate
• Formula: C20 H20 B F24 Na O6
• Calculated formula: C20 H20 B F24 Na O6
• SMILES: [Na]123([O](C(C(F)(F)[F]3)C(F)(F)F)[B](OC(C(F)(F)F)C(F)(F)F)(OC(C([F]1)(F)F)C(F)(F)F)[O]2C(C(F)(F)F)C(F)(F)F)([O]1CCCC1)[O]1CCCC1
• Title of publication: Na[B(hfip)(4)] (hfip = OC(H)(CF(3))(2)): a weakly coordinating anion salt and its first application to prepare ionic liquids.
• Authors of publication: Bulut, Safak; Klose, Petra; Krossing, Ingo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8114 - 8124
• a: 9.2805 ± 0.0019 Å
• b: 10.964 ± 0.002 Å
• c: 15.89 ± 0.003 Å
• α: 87.32 ± 0.03°
• β: 85.69 ± 0.03°
• γ: 78.66 ± 0.03°
• Cell volume: 1579.9 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0616
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No