Accuracy
Ru(Cp)2I(plus) (RUTCIT10) r
5984 Ru(Cp)2I(+) (RUTCIT10) (Geo)
(Previous)
(Back)
(Next)
REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
CHARGE=1 UHF PM7
Ru(Cp)2I(+) (RUTCIT10)
<Ru-I> <Ru-C> <C-Ru-I> GR=CCDC
Ru 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.73278100 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.20362000 +1 110.5547580 +1 0.0000000 +0 1 2 0
C 1.43826053 +1 71.6428547 +1 -149.8960081 +1 3 1 2
C 1.43379502 +1 108.4636574 +1 64.0896901 +1 4 3 1
C 2.21821532 +1 82.0392328 +1 164.6572564 +1 1 2 3
C 1.44851358 +1 70.9861735 +1 -86.6249189 +1 6 1 2
C 1.42200251 +1 108.0793577 +1 -64.1472662 +1 7 6 1
C 1.43473405 +1 107.5604036 +1 1.5770915 +1 8 7 6
C 1.42182084 +1 73.1796834 +1 -116.5279059 +1 6 1 7
H 2.23562200 +1 130.5750105 +1 4.1618382 +1 5 4 3
H 2.23029137 +1 88.4483359 +1 133.2004424 +1 3 1 4
H 1.08620385 +1 129.6007805 +1 105.1435786 +1 3 1 12
H 1.08208664 +1 124.7452195 +1 166.5837217 +1 4 3 5
H 1.08484430 +1 125.8480203 +1 166.8247219 +1 5 4 11
H 1.08749445 +1 133.5475193 +1 -122.9859318 +1 6 1 10
H 1.08757186 +1 124.8472383 +1 -164.9851182 +1 7 6 8
H 1.08518348 +1 126.0618798 +1 -172.7339824 +1 8 7 9
H 1.08215894 +1 124.8933321 +1 -168.8258537 +1 9 8 7
H 1.08510662 +1 125.9978327 +1 -126.0936438 +1 10 6 1
C 1.08672950 +1 31.1173076 +1 -14.2296061 +1 11 5 4
C 1.08846402 +1 31.5905171 +1 -43.7746425 +1 12 3 1