Accuracy
Cr(III)O6(3plus) (TAPBUH) r
3171 Cr(III)(H2O)6 (3+) (TAPBUH) (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)
QUARTET UHF CHARGE=3 PM7
Cr(III)(H2O)6 (3+) (TAPBUH)
<Cr-O> GR=CCDC
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.95862400 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.01802716 +1 90.5002425 +1 0.0000000 +0 1 2 0
O 2.01829417 +1 90.4080507 +1 -89.8474783 +1 1 2 3
H 1.01459759 +1 129.5675320 +1 92.1630236 +1 2 1 3
H 1.01471023 +1 129.3393145 +1 -179.5371954 +1 2 1 5
H 1.00874425 +1 128.9318978 +1 179.9636026 +1 3 1 2
H 1.00811267 +1 129.4173562 +1 179.4480810 +1 3 1 7
H 1.00834478 +1 129.1203823 +1 -90.1237030 +1 4 1 2
H 1.00855842 +1 129.1745559 +1 179.8471904 +1 4 1 9
O 2.02220381 +1 89.7523634 +1 179.9099114 +1 1 4 2
O 2.01837292 +1 90.2368847 +1 92.9785145 +1 1 2 6
O 2.01813837 +1 89.9259480 +1 -90.0863089 +1 1 2 12
H 1.00796997 +1 129.2360260 +1 179.7505983 +1 11 1 4
H 1.00802032 +1 129.1406480 +1 -179.8742843 +1 11 1 14
H 1.00793634 +1 129.4666527 +1 0.3658973 +1 12 1 2
H 1.00871680 +1 128.8733674 +1 -179.7826888 +1 12 1 16
H 1.00858375 +1 129.2628517 +1 -91.7516342 +1 13 1 2
H 1.00852271 +1 129.0339434 +1 -179.2126303 +1 13 1 18