Accuracy
geo3br (buwcur) r
4250 GeO3Br (BUWCUR) (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
GeO3Br (BUWCUR)
<Ge-Br> <Ge-O><O-Ge-Br> <Ge-N> GR=CCDC
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.35644200 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.80796800 +1 95.6793460 +1 0.0000000 +0 2 1 0
N 2.08398000 +1 85.6517672 +1 179.9673169 +1 2 3 1
C 1.37254583 +1 116.5517710 +1 168.2837358 +1 3 2 1
C 1.48451321 +1 105.9895831 +1 -13.0503205 +1 4 2 3
C 2.43703267 +1 72.0202612 +1 137.6783030 +1 4 2 6
C 1.55920237 +1 35.7390368 +1 -151.9693500 +1 7 4 2
C 2.43620665 +1 72.0526588 +1 120.8698188 +1 4 2 7
C 1.48418123 +1 105.3384530 +1 -18.3978363 +1 4 2 9
H 1.10722043 +1 108.8701268 +1 -89.2536282 +1 5 3 2
H 1.10863548 +1 105.3507057 +1 -117.8968614 +1 5 3 11
H 1.11173590 +1 109.7125442 +1 -86.3086491 +1 6 4 2
H 1.10358692 +1 112.8080834 +1 -120.1791292 +1 6 4 13
H 1.10732946 +1 103.6514947 +1 -107.6362852 +1 7 4 8
H 1.10776805 +1 140.9928830 +1 149.7472838 +1 7 4 15
H 1.10418192 +1 111.2523959 +1 -123.3417192 +1 8 7 4
H 1.11143631 +1 108.8446147 +1 -118.2025504 +1 8 7 17
H 1.10774187 +1 141.3235612 +1 -109.0314308 +1 9 4 2
H 1.10715041 +1 103.2608680 +1 -149.6498547 +1 9 4 19
H 1.11135239 +1 109.8926068 +1 -88.2850047 +1 10 4 2
H 1.10398699 +1 112.8965058 +1 -120.1688156 +1 10 4 21
O 1.37605345 +1 81.0582283 +1 103.5689224 +1 7 4 16
O 1.37652735 +1 81.1688844 +1 -106.7030191 +1 9 4 20