Accuracy
hg(ii)s2i2 (hgitur) r
7961 Hg(II)S2I2 (HGITUR) (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)
PM7
Hg(II)S2I2 (HGITUR)
<Hg-I> <><I-Hg-I> <Hg-S> GR=CCDC
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Hg 2.84113300 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.56238855 +1 101.4396610 +1 0.0000000 +0 2 1 0
S 2.46061700 +1 111.0745181 +1 -179.4587634 +1 2 1 3
N 6.61219657 +1 40.8155730 +1 -27.3841744 +1 2 1 4
S 3.97811998 +1 32.4132558 +1 -0.4262645 +1 2 1 5
C 1.77556689 +1 104.8769323 +1 38.6519957 +1 4 2 1
N 1.33053260 +1 123.5569209 +1 -69.6046472 +1 7 4 2
N 1.36546043 +1 116.4231955 +1 -176.2004908 +1 7 4 8
H 2.59015527 +1 76.4720452 +1 -153.6788506 +1 5 2 1
H 0.99743821 +1 147.3044098 +1 3.1175174 +1 5 2 10
H 1.00620314 +1 96.5503524 +1 173.1883379 +1 5 2 11
H 1.00741941 +1 122.9021977 +1 179.3474720 +1 8 7 4
H 1.08923202 +1 123.3035173 +1 -169.6515738 +1 8 7 13
H 1.00125598 +1 122.8910452 +1 174.1546346 +1 9 7 4
H 1.00783492 +1 120.9607254 +1 -174.1140313 +1 9 7 15
H 1.69438651 +1 96.0207779 +1 2.8307300 +1 10 5 2
C 1.36200883 +1 22.5977809 +1 -172.1164159 +1 5 2 12
N 0.99809809 +1 63.9075273 +1 -4.6467392 +1 10 5 17