Accuracy
pb(ii)br2o2 (brdmsp) r
8138 Pb(II)Br2O2 (BRDMSP) (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
Pb(II)Br2O2 (BRDMSP)
<Pb-Br> <><Br-Pb-Br> <Pb-O> <O-Pb-Br> GR=CCDC
Pb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.93381700 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.70610181 +1 90.5110080 +1 0.0000000 +0 1 2 0
O 2.49698400 +1 82.2726670 +1 -89.8247396 +1 1 2 3
C 2.59380860 +1 179.9974920 +1 151.2898633 +1 4 1 2
O 2.58303558 +1 88.9018348 +1 179.9167292 +1 1 2 4
C 2.61751730 +1 116.5082906 +1 -130.1912842 +1 4 1 5
S 1.50148478 +1 142.0147578 +1 -28.1066662 +1 6 1 2
C 1.77984823 +1 105.5755681 +1 73.4707531 +1 8 6 1
C 1.77342756 +1 106.1760040 +1 -105.9184113 +1 8 6 9
H 1.08719132 +1 126.2086630 +1 -167.2183156 +1 5 4 1
H 1.09018258 +1 123.2552494 +1 157.9382948 +1 5 4 11
H 1.09619188 +1 77.7049434 +1 101.3370610 +1 5 4 12
H 1.10105993 +1 94.2643418 +1 12.4137407 +1 7 4 1
H 1.08710586 +1 145.6119249 +1 128.0373762 +1 7 4 14
H 1.09215101 +1 92.3671035 +1 127.7413642 +1 7 4 15
H 1.09839787 +1 114.4117926 +1 -52.7869940 +1 9 8 6
H 1.09185632 +1 110.9412259 +1 118.3763296 +1 9 8 17
H 1.08790398 +1 112.1347321 +1 120.5582111 +1 9 8 18
H 1.09924184 +1 111.3407763 +1 -52.6954424 +1 10 8 6
H 1.09818937 +1 115.3624452 +1 117.7456167 +1 10 8 20
H 1.08751916 +1 112.0497747 +1 122.2675399 +1 10 8 21
S 1.50323515 +1 137.8514532 +1 44.9014756 +1 4 1 7