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Geometry for C4F4 (tetrafluorcyclobutadiene) 1A1G D4H

1910171554
InChI=1S/C4F4/c5-1-2(6)4(8)3(1)7 INChIKey=CZCWNUQRLNESIL-UHFFFAOYSA-N

CCSD=FULL/aug-cc-pVDZ


Point group is D4h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0210 0.0000   1.0210 0.0000 0.0000
C2 1.0210 0.0000 0.0000   0.0000 1.0210 0.0000
C3 0.0000 -1.0210 0.0000   -1.0210 0.0000 0.0000
C4 -1.0210 0.0000 0.0000   0.0000 -1.0210 0.0000
F5 0.0000 2.3443 0.0000   2.3443 0.0000 0.0000
F6 2.3443 0.0000 0.0000   0.0000 2.3443 0.0000
F7 0.0000 -2.3443 0.0000   -2.3443 0.0000 0.0000
F8 -2.3443 0.0000 0.0000   0.0000 -2.3443 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.4439 2.0420 1.4439 1.3233 2.5570 3.3653 2.5570
C2 1.4439 1.4439 2.0420 2.5570 1.3233 2.5570 3.3653
C3 2.0420 1.4439 1.4439 3.3653 2.5570 1.3233 2.5570
C4 1.4439 2.0420 1.4439 2.5570 3.3653 2.5570 1.3233
F5 1.3233 2.5570 3.3653 2.5570 3.3153 4.6886 3.3153
F6 2.5570 1.3233 2.5570 3.3653 3.3153 3.3153 4.6886
F7 3.3653 2.5570 1.3233 2.5570 4.6886 3.3153 3.3153
F8 2.5570 3.3653 2.5570 1.3233 3.3153 4.6886 3.3153
Maximum atom distance is 4.6886Å between atoms F5 and F7.
picture of tetrafluorcyclobutadiene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 90.000 C1 C2 F6 135.000
C1 C4 C3 90.000 C1 C4 F8 135.000
C2 C1 C4 90.000 C2 C1 F5 135.000
C2 C3 C4 90.000 C2 C3 F7 135.000
C3 C2 F6 135.000 C3 C4 F8 135.000
C4 C1 F5 135.000 C4 C3 F7 135.000

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