Structure Data of Free Polyatomic Molecules
868
MW
C9H7MnO3
Atom
Mn
C(1)
C(2)
C(3)
C(4)
C(5)
H(1)
H(2)
H(3)
H(4)
C(6)
C(7)
C(8)
O(6)
O(7)
O(8)
C(9)
H(5)
H(6)
H(7)
a0 [Å]
0.1790
–1.9633
–1.5975
–1.0056
–1.0056
–1.5975
–1.7354
–0.6444
–0.6444
–1.7354
1.3167
1.5646
0.4307
2.0117
2.4110
0.5845
–2.5523
–1.7870
–3.1800
–3.1800
Methylcyclopentadienyl(tricarbonyl)manganese
Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese
b0 [Å]
0.0980
–0.1583
0.5749
1.7611
1.7611
0.5749
0.2984
2.4851
2.4851
0.2984
0.0629
0.5596
–1.7129
0.0414
0.8417
–2.8193
–1.3388
–2.1299
–1.4354
–1.4354
c0 [Å]
0.0
0.0
–1.1278
–0.6970
0.6970
1.1278
–2.0788
–1.2848
1.2848
2.0788
1.4663
–1.1458
–0.3206
2.3621
–1.8457
–0.5164
0.0
0.0
–0.8982
0.8982
The potential barrier to the methyl internal rotation is 584 cm–1.
Indris, O., Stahl, W.: Mol. Phys. 98 (2000) 1495.
Landolt-Börnstein
New Series II/28D
Cs
H3C Mn
C
C
O C
O
O