Accuracy
as(iii)brs2(plus) (edtcas) r
4258 As(III)BrS2(+) (EDTCAS) (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
As(III)BrS2(+) (EDTCAS)
<As-Br> <As-S> <S-As-Br> GR=CCDC
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.40345400 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.26948400 +1 99.4953030 +1 0.0000000 +0 1 2 0
S 2.34903387 +1 101.3516885 +1 -79.3137925 +1 1 2 3
N 2.77087837 +1 110.7210298 +1 -102.2623661 +1 3 1 2
C 1.29713877 +1 31.6930276 +1 2.9099868 +1 5 3 1
C 1.48724412 +1 154.2739397 +1 -0.8412738 +1 5 3 6
C 1.52238385 +1 110.4858403 +1 89.7326819 +1 7 5 3
C 1.48701805 +1 91.1124107 +1 -179.4915202 +1 5 3 7
C 1.52238593 +1 110.5063423 +1 89.8765829 +1 9 5 3
H 1.11712078 +1 110.9795531 +1 -123.8161886 +1 7 5 8
H 1.12065672 +1 108.3862729 +1 -114.7723178 +1 7 5 11
H 1.10536983 +1 110.4607443 +1 178.6070741 +1 8 7 5
H 1.09881717 +1 112.9269175 +1 -118.9808535 +1 8 7 13
H 1.09875922 +1 113.2344661 +1 -122.2049909 +1 8 7 14
H 1.12071816 +1 108.4075581 +1 121.4007974 +1 9 5 10
H 1.11699688 +1 110.9736590 +1 114.7922923 +1 9 5 16
H 1.09881822 +1 112.9586850 +1 59.4931644 +1 10 9 5
H 1.09858616 +1 113.1777056 +1 -122.2063466 +1 10 9 18
H 1.10535798 +1 110.4821219 +1 -118.8305867 +1 10 9 19