Information card for entry 2016212
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 Å3 |
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 |
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