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Geometry for SF5CF3 (Sulfur, pentafluoro(trifluoromethyl)-) 1A' CS

1910171554
InChI=1S/CF8S/c2-1(3,4)10(5,6,7,8)9 INChIKey=QIYZKVMAFMDRTP-UHFFFAOYSA-N

MP2/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.1602 -0.6214 0.0000   -0.5592 0.3147 0.0000
C2 -0.3463 1.2401 0.0000   1.1093 -0.6538 0.0000
F3 -1.6594 1.3572 0.0000   0.8845 -1.9527 0.0000
F4 0.1549 1.8148 1.0765   1.7936 -0.3173 1.0765
F5 0.1549 1.8148 -1.0765   1.7936 -0.3173 -1.0765
F6 -1.3678 -1.1250 0.0000   -1.4390 -1.0322 0.0000
F7 0.1549 -0.6461 -1.6114   -0.5845 0.3160 -1.6114
F8 1.7048 -0.1486 0.0000   0.2951 1.6856 0.0000
F9 0.1549 -0.6461 1.6114   -0.5845 0.3160 1.6114
F10 0.6487 -2.1432 0.0000   -1.9041 1.1783 0.0000
Atom - Atom Distances (Å)
  S1 C2 F3 F4 F5 F6 F7 F8 F9 F10
S1 1.9292 2.6880 2.6634 2.6634 1.6088 1.6116 1.6154 1.6116 1.5983
C2 1.9292 1.3183 1.3192 1.3192 2.5762 2.5310 2.4770 2.5310 3.5266
F3 2.6880 1.3183 2.1587 2.1587 2.4992 3.1467 3.6858 3.1467 4.1928
F4 2.6634 1.3192 2.1587 2.1530 3.4813 3.6443 2.7232 2.5184 4.1314
F5 2.6634 1.3192 2.1587 2.1530 3.4813 2.5184 2.7232 3.6443 4.1314
F6 1.6088 2.5762 2.4992 3.4813 3.4813 2.2682 3.2240 2.2682 2.2590
F7 1.6116 2.5310 3.1467 3.6443 2.5184 2.2682 2.2905 3.2229 2.2543
F8 1.6154 2.4770 3.6858 2.7232 2.7232 3.2240 2.2905 2.2905 2.2570
F9 1.6116 2.5310 3.1467 2.5184 3.6443 2.2682 3.2229 2.2905 2.2543
F10 1.5983 3.5266 4.1928 4.1314 4.1314 2.2590 2.2543 2.2570 2.2543
Maximum atom distance is 4.1928Å between atoms F3 and F10.
picture of Sulfur, pentafluoro(trifluoromethyl)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 F3 110.313 S1 C2 F4 108.699
S1 C2 F5 108.699 C2 S1 D6 93.021
C2 S1 D7 90.799 C2 S1 F8 88.202
C2 S1 F9 90.799 C2 S1 F10 177.424
F3 C2 F4 109.864 F3 C2 F5 109.864
F4 C2 F5 109.373 D6 S1 D7 89.549
D6 S1 F8 178.777 D6 S1 F9 89.549
D6 S1 F10 89.554 D7 S1 F8 90.435
D7 S1 F9 178.204 D7 S1 F10 89.220
F8 S1 F9 90.435 F8 S1 F10 89.223
F9 S1 F10 89.220

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.