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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

QCISD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.1596 -0.6100 0.0000   -0.5491 0.3100 0.0000
C2 -0.3416 1.1954 0.0000   1.0686 -0.6354 0.0000
F3 -1.6497 1.3188 0.0000   0.8540 -1.9317 0.0000
F4 0.1529 1.7795 1.0696   1.7596 -0.3063 1.0696
F5 0.1529 1.7795 -1.0696   1.7596 -0.3063 -1.0696
F6 -1.3310 -1.1089 0.0000   -1.4119 -1.0039 0.0000
F7 0.1529 -0.6300 -1.5746   -0.5701 0.3086 -1.5746
F8 1.6625 -0.1280 0.0000   0.3006 1.6401 0.0000
F9 0.1529 -0.6300 1.5746   -0.5701 0.3086 1.5746
F10 0.6506 -2.0934 0.0000   -1.8580 1.1634 0.0000
Atom - Atom Distances (Å)
  S1 C2 F3 F4 F5 F6 F7 F8 F9 F10
S1 1.8737 2.6447 2.6180 2.6180 1.5719 1.5748 1.5783 1.5748 1.5625
C2 1.8737 1.3139 1.3152 1.3152 2.5077 2.4609 2.4016 2.4609 3.4352
F3 2.6447 1.3139 2.1461 2.1461 2.4485 3.0865 3.6144 3.0865 4.1151
F4 2.6180 1.3152 2.1461 2.1392 3.4189 3.5774 2.6573 2.4618 4.0485
F5 2.6180 1.3152 2.1461 2.1392 3.4189 2.4618 2.6573 3.5774 4.0485
F6 1.5719 2.5077 2.4485 3.4189 3.4189 2.2160 3.1501 2.2160 2.2127
F7 1.5748 2.4609 3.0865 3.5774 2.4618 2.2160 2.2384 3.1493 2.2065
F8 1.5783 2.4016 3.6144 2.6573 2.6573 3.1501 2.2384 2.2384 2.2106
F9 1.5748 2.4609 3.0865 2.4618 3.5774 2.2160 3.1493 2.2384 2.2065
F10 1.5625 3.4352 4.1151 4.0485 4.0485 2.2127 2.2065 2.2106 2.2065
Maximum atom distance is 4.1151Å 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 110.904 S1 C2 F4 109.107
S1 C2 F5 109.107 C2 S1 D6 92.987
C2 S1 D7 90.634 C2 S1 F8 87.731
C2 S1 F9 90.634 C2 S1 F10 177.201
F3 C2 F4 109.429 F3 C2 F5 109.429
F4 C2 F5 108.833 D6 S1 D7 89.539
D6 S1 F8 179.282 D6 S1 F9 89.539
D6 S1 F10 89.812 D7 S1 F8 90.454
D7 S1 F9 178.470 D7 S1 F10 89.388
F8 S1 F9 90.454 F8 S1 F10 89.470
F9 S1 F10 89.388

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