Accuracy
Cr(III)N2F2O2(1-) (BUTDAV) r
3191 Cr(III)N2F2O2 (BUTDAV) (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=1 PM7
Cr(III)N2F2O2 (BUTDAV)
<Cr-F> <Cr-O><> <Cr-N> GR=CCDC
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.88395100 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.99649800 +1 83.6956572 +1 0.0000000 +0 1 2 0
N 2.04486800 +1 87.5402298 +1 93.3210711 +1 1 2 3
C 1.50935937 +1 104.9247422 +1 79.6107741 +1 4 1 2
H 0.98564140 +1 125.0655535 +1 -3.0254943 +1 3 1 2
H 0.98124101 +1 128.0797769 +1 -167.8510937 +1 3 1 6
H 1.03875433 +1 112.9438188 +1 119.7116832 +1 4 1 5
H 1.04111397 +1 113.5784009 +1 120.9871964 +1 4 1 8
H 1.12212644 +1 109.1397735 +1 -81.0032729 +1 5 4 1
H 1.11665140 +1 111.0824048 +1 -116.8100447 +1 5 4 10
F 1.72447546 +1 100.4918891 +1 173.0908941 +1 1 4 2
O 2.09993004 +1 90.2054533 +1 -167.4048018 +1 1 2 9
N 2.10344479 +1 93.5857198 +1 -90.6397452 +1 1 2 13
C 1.50372743 +1 103.5281810 +1 -102.0072009 +1 14 1 2
H 0.97515329 +1 129.1521718 +1 170.5438797 +1 13 1 2
H 0.97635004 +1 123.3260337 +1 -168.1458016 +1 13 1 16
H 1.03745607 +1 111.2473612 +1 118.5359903 +1 14 1 15
H 1.03483818 +1 114.8184436 +1 121.3148788 +1 14 1 18
H 1.12040018 +1 109.2217919 +1 -81.1269997 +1 15 14 1
H 1.11741517 +1 111.3749260 +1 -117.0185113 +1 15 14 20