Accuracy
mg(ii)o2br(plus) (basliq) r
4163 Mg(II)O2Br(+) (BASLIQ) (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
Mg(II)O2Br(+) (BASLIQ)
<Mg-Br> <Mg-O> <O-Mg-Br> GR=CCDC
Mg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.53568800 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.06813500 +1 97.6936530 +1 0.0000000 +0 1 2 0
C 1.44819808 +1 111.3063896 +1 -71.3784297 +1 3 1 2
C 1.52173665 +1 106.9976036 +1 105.0374897 +1 4 3 1
C 1.54191738 +1 105.4935465 +1 16.3727090 +1 5 4 3
C 1.44812473 +1 114.8887073 +1 125.1695874 +1 3 1 4
O 1.94381902 +1 140.3347635 +1 173.3004551 +1 1 2 3
C 1.45342355 +1 115.8017113 +1 0.2248796 +1 8 1 2
C 1.51945510 +1 106.7058626 +1 -135.4371605 +1 9 8 1
C 1.54084971 +1 105.1747927 +1 -14.9274874 +1 10 9 8
C 1.44849188 +1 116.4877614 +1 -134.3464457 +1 8 1 9
H 1.10711967 +1 105.5034413 +1 -122.7405139 +1 4 3 5
H 1.10723988 +1 104.5433051 +1 -116.5942290 +1 4 3 13
H 1.10866388 +1 112.2019250 +1 -120.6854053 +1 5 4 6
H 1.10696150 +1 111.8760346 +1 -118.2340261 +1 5 4 15
H 1.10883138 +1 110.7647737 +1 -125.9981090 +1 6 5 4
H 1.10669649 +1 111.2008121 +1 -116.8806911 +1 6 5 17
H 1.10528881 +1 105.4798031 +1 16.8468463 +1 7 3 1
H 1.10674417 +1 104.2166788 +1 116.6526764 +1 7 3 19
H 1.10914784 +1 106.2199162 +1 122.3126310 +1 9 8 10
H 1.10902490 +1 102.7872694 +1 117.3635988 +1 9 8 21
H 1.10748563 +1 112.1915955 +1 120.9754898 +1 10 9 11
H 1.10891589 +1 112.1526032 +1 118.2584089 +1 10 9 23
H 1.10715568 +1 111.4038962 +1 144.6917502 +1 11 10 9
H 1.10882162 +1 110.9270899 +1 117.1444011 +1 11 10 25
H 1.10736081 +1 106.6301269 +1 28.3423934 +1 12 8 1
H 1.10787586 +1 102.9285764 +1 -117.9466991 +1 12 8 27