Accuracy
V(III)O6(3plus) (COLNUM) r
3050 V(III)O6(3+) (COLNUM) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
CHARGE=3 OPEN(2,5) PM7
V(III)O6(3+) (COLNUM)
<V-O> GR=CCDC
V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.99316700 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.21278880 +1 86.2855196 +1 0.0000000 +0 1 2 0
O 2.13917318 +1 76.6805364 +1 -84.3762901 +1 1 2 3
H 1.02339376 +1 129.1303444 +1 151.6832941 +1 2 1 3
H 1.02174439 +1 130.7062902 +1 170.1653559 +1 2 1 5
H 0.99848181 +1 126.0959199 +1 -138.3653625 +1 3 1 2
H 0.99764782 +1 132.0281365 +1 -168.1936042 +1 3 1 7
H 1.00560664 +1 127.1657573 +1 -129.8643881 +1 4 1 2
H 1.00242896 +1 130.8246334 +1 -171.7369969 +1 4 1 9
O 2.19989984 +1 98.1732098 +1 179.7655902 +1 1 4 2
O 2.20261399 +1 99.9078883 +1 135.2344995 +1 1 2 6
O 2.11840703 +1 111.3783372 +1 -81.3531928 +1 1 2 12
H 1.00044112 +1 127.8742670 +1 24.3135007 +1 11 1 3
H 0.99964412 +1 129.9962390 +1 -166.7422802 +1 11 1 14
H 0.99991602 +1 127.5326708 +1 -42.8976313 +1 12 1 2
H 0.99819059 +1 130.5766224 +1 169.5855329 +1 12 1 16
H 1.00614223 +1 129.1625855 +1 -39.3572074 +1 13 1 2
H 1.00454010 +1 128.7506874 +1 176.3851343 +1 13 1 18