Structure Data of Free Polyatomic Molecules
725
MW
C 6 H 7 F3 O 4
Trifluoroacetic acid – cyclopropanecarboxylic acid (1/1)
r0
O(2)...O(11)
O(3)...O(10)
Atom
C(1)
O(2)
O(3)
H(4)
C(5)
F(6)
F(7)
F(8)
C(9)
O(10)
O(11)
H(12)
C(13)
H(14)
C(15)
C(16)
H(17)
H(18)
H(19)
H(20)
a
O
Å a)
2.62(1)
2.62(1)
a0 [Å]
–1.390494
–0.787664
–0.765325
0.178538
–2.926799
–3.226657
–3.436150
–3.436150
2.400009
1.821035
1.791440
0.825927
3.872786
4.292536
4.620340
4.620340
3.993947
3.993947
5.546469
5.546469
Cs
F
O
F
OH
. F
OH
b0 [Å]
0.089995
1.118324
–1.109910
–0.934631
–0.082877
–1.373501
0.488249
0.488249
0.376065
–0.690980
1.579994
1.385033
0.457019
1.472701
–0.636959
–0.639959
–1.395382
–1.395382
–0.363573
–0.363573
c0 [Å]
0.0
0.0
0.0
0.0
0.0
0.0
–1.081666
1.081666
0.0
0.0
0.0
0.0
0.0
0.0
–0.748500
0.748500
1.247535
–1.247535
1.281560
–1.281560
) Uncertainties were not estimated in the
original paper.
Antolinez, S., Dreizler, H., Storm, V., Sutter, D.H., Alonso, J.L.: Z. Naturforsch. A 52 (1997)
803.
Landolt-Börnstein
New Series II/28D