Structure Data of Free Polyatomic Molecules
30
ED
CFNOS
ra
C≡N
S=O
S–F
S–C
Sulfinyl cyanide fluoride
Thionyl cyanide fluoride
Cyanosulfurous fluoride
a
Å )
1.150(3)
1.432(2)
1.598(3)
1.783(3)
θα
F–S=O
C–S=O
F–S–C
S–C≡N b)
a
deg )
104.9(4)
105.3(5)
93.9(4)
176(4)
C1
O
F
S
C
N
The experimental bond lengths were reproduced well by values from HF/3-21G*, HF/6-31G*
and MP2/6-31G* calculations. The bond angles were reproduced by these methods within
ca. ±3°.
The nozzle was probably at room temperature.
a
) Three times the estimated standard errors.
) Bent towards the S lone pair.
b
Mack, H.-G., Oberhammer, H., Jacobs, J., Kronberg, M., Willner, H.: Inorg. Chem. 35 (1996)
806.
Landolt-Börnstein
New Series II/28B