Accuracy
Cr(III)O6(3-) (AMOXCR) r
3184 Cr(III)O6 (AMOXCR) (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 QUARTET UHF PM7
Cr(III)O6 (AMOXCR)
<Cr-O> <><> <><><> <> <O-Cr-O> GR=CCDC
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.00812000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 3.51030853 +1 88.5392463 +1 0.0000000 +0 2 1 0
O 2.22004838 +1 143.1454980 +1 -3.9922311 +1 2 1 3
O 1.98958324 +1 89.6694880 +1 -96.2098137 +1 1 2 3
O 1.99078720 +1 97.0946207 +1 -80.4068845 +1 1 2 5
O 2.22011362 +1 143.5297577 +1 -100.5857314 +1 5 1 2
O 2.22054794 +1 143.4296624 +1 83.4331761 +1 6 1 2
O 1.98664859 +1 85.4638298 +1 175.9867679 +1 1 6 2
C 1.22280326 +1 18.8343957 +1 -3.5370509 +1 3 2 1
C 1.27864240 +1 116.3682661 +1 1.8867139 +1 2 1 4
C 1.28016628 +1 116.7581328 +1 2.3911181 +1 5 1 7
C 1.27980650 +1 116.7320924 +1 3.1110361 +1 6 1 8
O 1.99011835 +1 94.7911266 +1 83.5825359 +1 1 2 11
O 2.21970058 +1 143.2483314 +1 -3.6550625 +1 9 1 14
O 2.22031482 +1 143.1316692 +1 178.8958663 +1 14 1 2
C 1.28071761 +1 116.4369620 +1 2.3206524 +1 9 1 15
C 1.22305451 +1 28.1795268 +1 4.1525441 +1 16 14 1
O 1.28060656 +1 124.8537962 +1 176.4416897 +1 10 3 2