Accuracy
sic3s(-) (itiboc) r
2228 SiC3S(-) (ITIBOC) (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 PM7
SiC3S(-) (ITIBOC)
<Si-S> <Si-O><O-Si-S> GR=CCDC
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Si 2.06114100 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.58560300 +1 114.3650280 +1 0.0000000 +0 2 1 0
C 1.37977144 +1 139.7694466 +1 -8.7713061 +1 3 2 1
H 1.11890165 +1 111.3732814 +1 7.2371447 +1 4 3 1
C 1.54515218 +1 108.2270770 +1 -121.4837902 +1 4 3 5
H 1.09685079 +1 110.0283039 +1 66.3242103 +1 6 4 3
H 1.08865030 +1 111.3131312 +1 120.4442389 +1 6 4 7
H 1.09354488 +1 110.5093895 +1 121.4045227 +1 6 4 8
C 1.54832985 +1 106.5922523 +1 -118.4389446 +1 4 3 6
H 1.09505341 +1 109.9920252 +1 -64.0606266 +1 10 4 3
H 1.08869005 +1 111.2016189 +1 -120.5415599 +1 10 4 11
H 1.09337494 +1 110.3621537 +1 -121.1343718 +1 10 4 12
O 1.61562312 +1 109.5125934 +1 -121.0429681 +1 2 1 3
C 1.38256214 +1 137.8409439 +1 -172.8851822 +1 14 2 1
H 1.12395724 +1 101.5542896 +1 -108.5050310 +1 15 14 9
C 1.54190620 +1 111.6923068 +1 -116.8125885 +1 15 14 16
H 1.09678359 +1 109.9834331 +1 48.4859539 +1 17 15 14
H 1.08811698 +1 111.4361713 +1 121.1329796 +1 17 15 18
H 1.09723897 +1 111.0527686 +1 121.4171260 +1 17 15 19
C 1.54253053 +1 113.7220378 +1 -125.8738029 +1 15 14 17
H 1.09624546 +1 110.3301668 +1 -48.3431289 +1 21 15 14
H 1.08904181 +1 111.0415052 +1 -120.8103032 +1 21 15 22
H 1.09616065 +1 111.4030795 +1 -120.9281942 +1 21 15 23
O 1.62314545 +1 116.3220230 +1 -116.4075981 +1 2 1 14
C 1.37118941 +1 142.3545345 +1 -89.5968235 +1 25 2 1
H 1.12349622 +1 102.5036278 +1 -57.6398222 +1 26 25 20
C 1.54091137 +1 113.4023959 +1 -117.9607078 +1 26 25 27
H 1.09969607 +1 110.0606325 +1 46.3758415 +1 28 26 25
H 1.08850998 +1 111.2653606 +1 120.6195157 +1 28 26 29
H 1.09509395 +1 111.6244566 +1 121.4684674 +1 28 26 30
C 1.54623473 +1 111.0357435 +1 -125.0594026 +1 26 25 28
H 1.09365266 +1 110.3107611 +1 -53.6507431 +1 32 26 25
H 1.08820537 +1 111.2741533 +1 -121.2992298 +1 32 26 33
H 1.09761556 +1 110.5537068 +1 -120.8587164 +1 32 26 34