Accuracy
geo4br(-) (cutlae) r
4252 GeO4Br(-) (CUTLAE) (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
GeO4Br(-) (CUTLAE)
<Ge-Br> <Ge-O><O-Ge-Br> GR=CCDC
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.32129800 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.81370200 +1 108.1558530 +1 0.0000000 +0 2 1 0
O 1.79684232 +1 97.4757708 +1 91.6903102 +1 2 1 3
O 1.80103529 +1 96.9356658 +1 -179.3301331 +1 2 1 4
O 1.78792334 +1 111.2868877 +1 -92.2079131 +1 2 1 5
C 1.32109788 +1 110.9421618 +1 98.3595524 +1 6 2 1
C 1.37939583 +1 124.6909590 +1 179.3570666 +1 7 6 2
C 1.40869714 +1 117.8076135 +1 179.9015143 +1 8 7 6
C 1.38450082 +1 121.3731974 +1 -0.0166848 +1 9 8 7
C 1.40802670 +1 121.4394081 +1 0.0030232 +1 10 9 8
C 1.31640400 +1 110.8291633 +1 -112.6622490 +1 5 2 1
C 1.31865004 +1 110.4215648 +1 98.2561324 +1 3 2 1
C 1.38052683 +1 124.6175047 +1 179.8192535 +1 13 3 2
C 1.40833802 +1 117.9114577 +1 179.7165844 +1 14 13 3
C 1.38440642 +1 121.3783183 +1 -0.0071677 +1 15 14 13
C 1.40818043 +1 121.3830135 +1 0.0206370 +1 16 15 14
C 1.31742508 +1 111.1508598 +1 -108.9209944 +1 4 2 1
H 1.08076192 +1 121.0520234 +1 -179.9925662 +1 8 7 9
H 1.08363145 +1 118.6294245 +1 -179.9824111 +1 9 8 10
H 1.08400537 +1 119.9519639 +1 -179.9848949 +1 10 9 11
H 1.08049146 +1 121.1955872 +1 -179.9969342 +1 11 10 9
H 1.08061334 +1 120.9327271 +1 -179.9846918 +1 14 13 15
H 1.08378547 +1 118.6366526 +1 -179.9936036 +1 15 14 16
H 1.08383063 +1 119.9890555 +1 179.9720929 +1 16 15 17
H 1.08051947 +1 121.1774779 +1 -179.9804125 +1 17 16 15