Accuracy
Cr(III)O6(-) (KOXACR) r
3181 Cr(III)O6 (KOXACR) (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=-1 UHF QUARTET PM7
Cr(III)O6 (KOXACR)
<Cr-O(-c)> <><O-Cr-O> <Cr-O(H2)> GR=CCDC
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.91635000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.91762082 +1 83.4248320 +1 0.0000000 +0 1 2 0
O 2.29533500 +1 138.6965888 +1 17.5834926 +1 2 1 3
O 2.22750439 +1 140.1404409 +1 18.8505163 +1 3 1 2
C 1.21347623 +1 26.6679023 +1 -24.2437482 +1 4 2 1
C 1.20440103 +1 28.9993258 +1 -25.5988275 +1 5 3 1
O 2.21544627 +1 71.7429184 +1 -112.4589281 +1 1 2 3
O 1.93992152 +1 107.6990152 +1 177.3518210 +1 1 8 2
O 1.93888687 +1 98.7732390 +1 -172.8135520 +1 1 2 6
O 2.21246708 +1 108.9838464 +1 -112.4443385 +1 1 2 10
C 1.30524242 +1 119.9333768 +1 174.3921757 +1 9 1 3
C 1.30532128 +1 120.0294521 +1 175.2583770 +1 10 1 2
O 1.20491314 +1 125.1053156 +1 -164.4571315 +1 12 9 1
O 1.20491985 +1 125.0422333 +1 -164.7647289 +1 13 10 1
H 0.98690208 +1 108.4172748 +1 -111.9494754 +1 8 1 2
H 0.98573209 +1 109.0294575 +1 112.1549717 +1 8 1 16
H 0.98642228 +1 109.1622677 +1 -75.3663674 +1 11 1 2
H 0.98702555 +1 108.3300674 +1 -112.2131213 +1 11 1 18