Information card for entry 2016212

Structure parameters

• Chemical name: 2,5-Bis(dimethylamino)-2,3,5,6-tetrakis[3,5-bis(trifluoromethyl)phenoxy]-2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate
• Formula: C38.67 H32.67 B4 F24 N2 O6.67
• Calculated formula: C38.6667 H32.6667 B4 F24 N2 O6.66667
• Title of publication: 2,3,5,6-Tetrakis[3,5-bis(trifluoromethyl)phenoxy]-2,5-bis(dimethylamino)2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate
• Authors of publication: Clegg, William; Marder, Todd B.; Nlate, Sylvain; Scott, Andrew J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o603 - o605
• a: 14.8006 ± 0.001 Å
• b: 15.1969 ± 0.001 Å
• c: 18.1644 ± 0.0012 Å
• α: 79.708 ± 0.002°
• β: 67.589 ± 0.002°
• γ: 71.879 ± 0.002°
• Cell volume: 3581.3 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes