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Geometry for F2CCCF2 (tetrafluoroallene) 1A1 D2D

1910171554
InChI=1S/C3F4/c4-2(5)1-3(6)7 INChIKey=PWWKERINVYVSIE-UHFFFAOYSA-N

B1B95/cc-pVDZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 0.0000 1.2985   1.2985 0.0000 0.0000
C3 0.0000 0.0000 -1.2985   -1.2985 0.0000 0.0000
F4 0.0000 1.0715 2.0600   2.0600 1.0715 0.0000
F5 0.0000 -1.0715 2.0600   2.0600 -1.0715 0.0000
F6 1.0715 0.0000 -2.0600   -2.0600 0.0000 1.0715
F7 -1.0715 0.0000 -2.0600   -2.0600 0.0000 -1.0715
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7
C1 1.2985 1.2985 2.3220 2.3220 2.3220 2.3220
C2 1.2985 2.5970 1.3145 1.3145 3.5253 3.5253
C3 1.2985 2.5970 3.5253 3.5253 1.3145 1.3145
F4 2.3220 1.3145 3.5253 2.1430 4.3899 4.3899
F5 2.3220 1.3145 3.5253 2.1430 4.3899 4.3899
F6 2.3220 3.5253 1.3145 4.3899 4.3899 2.1430
F7 2.3220 3.5253 1.3145 4.3899 4.3899 2.1430
Maximum atom distance is 4.3899Å between atoms F4 and F6.
picture of tetrafluoroallene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 125.402 C1 C2 F5 125.402
C1 C3 F6 125.402 C1 C3 F7 125.402
C2 C1 C3 180.000 F4 C2 F5 109.195
F6 C3 F7 109.195

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