Structure Data of Free Polyatomic Molecules
191
ED
1,3,5-Trifluoro-1,3,5-trioxo-1λ6,3λ6,5λ6,2,4,6cyclotrithiatriaza-2,4,6-triene
cis,cis-1,3,5-Trifluoro-1λ4,3λ4,5λ4-1,3,5,2,4,6trithiatriazine 1,3,5-trioxide
F3N3O3S3
ra
S–(N,F) b)
∆(S–N,F) c)
S–N
S–F
S=O
Å a)
1.553(2)
0.006(12)
1.551(6)
1.557(9)
1.390(3)
θa
N–S–N
S–N–S
N–S–F
N–S=O
F–S=O
τ d)
deg a)
115.2(11)
121.6(9)
103.0(5)
114.2(5)
105.0(7)
24.5(48)
The nozzle temperature was 40 °C.
a
) Three times the estimated standard errors.
) Average value of the S–N and S–F distances.
c
) [S–F] – [S–N].
d
) Torsional angle S–N–S–N.
b
Haist, R., Oberhammer, H., Lork, E., Mews, R.: J. Fluor. Chem. 89 (1998) 51.
Landolt-Börnstein
New Series II/28A
C3v assumed
F
O
S
N
N
O
S
N
S
F O
F