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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

CCD/aug-cc-pVTZ


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 1.2950   1.2950 0.0000 0.0000
C3 0.0000 0.0000 -1.2950   -1.2950 0.0000 0.0000
F4 0.0000 1.0711 2.0504   2.0504 1.0711 0.0000
F5 0.0000 -1.0711 2.0504   2.0504 -1.0711 0.0000
F6 1.0711 0.0000 -2.0504   -2.0504 0.0000 1.0711
F7 -1.0711 0.0000 -2.0504   -2.0504 0.0000 -1.0711
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7
C1 1.2950 1.2950 2.3133 2.3133 2.3133 2.3133
C2 1.2950 2.5899 1.3107 1.3107 3.5127 3.5127
C3 1.2950 2.5899 3.5127 3.5127 1.3107 1.3107
F4 2.3133 1.3107 3.5127 2.1422 4.3716 4.3716
F5 2.3133 1.3107 3.5127 2.1422 4.3716 4.3716
F6 2.3133 3.5127 1.3107 4.3716 4.3716 2.1422
F7 2.3133 3.5127 1.3107 4.3716 4.3716 2.1422
Maximum atom distance is 4.3716Å 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 125.195 C1 C2 F5 125.195
C1 C3 F6 125.195 C1 C3 F7 125.195
C2 C1 C3 180.000 F4 C2 F5 109.609
F6 C3 F7 109.609

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