Accuracy
Re(V)Br3N2O (BAWSAU) r
7502 Re(V)Br3N2O (BAWSAU) (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)
UHF PM7
Re(V)Br3N2O (BAWSAU)
<Re-Br> <><Br-Re-Br> <Re-O><><> <Re-N> GR=CCDC
Re 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.48888700 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.43749167 +1 88.6940340 +1 0.0000000 +0 1 2 0
O 1.68935600 +1 109.5096808 +1 -98.2520992 +1 1 2 3
N 2.25640200 +1 72.5965500 +1 -170.4524767 +1 1 2 4
C 1.37052357 +1 115.6932753 +1 86.0447569 +1 5 1 2
C 1.39432955 +1 122.0895007 +1 -178.8270177 +1 6 5 1
H 1.08849706 +1 121.0802351 +1 179.7441055 +1 7 6 5
C 1.39761573 +1 119.0969616 +1 -179.9969237 +1 7 6 8
H 1.09170869 +1 120.0970105 +1 179.8124330 +1 9 7 6
C 1.38738338 +1 119.0262895 +1 179.8682905 +1 9 7 10
H 1.09024440 +1 121.1659029 +1 -179.6776913 +1 11 9 7
C 1.34819225 +1 126.1015315 +1 -179.5883918 +1 5 1 6
H 1.10337113 +1 117.8343237 +1 -1.3214260 +1 13 5 1
N 2.16764917 +1 84.3397244 +1 74.7419315 +1 1 2 5
C 1.36316469 +1 119.2219483 +1 -69.3452698 +1 15 1 2
C 1.39804124 +1 121.1432154 +1 175.5784981 +1 16 15 1
H 1.08915465 +1 120.8978537 +1 -179.5111168 +1 17 16 15
C 1.39511288 +1 119.0523408 +1 179.9873734 +1 17 16 18
H 1.09174439 +1 120.0759906 +1 179.8789001 +1 19 17 16
C 1.39261919 +1 119.4534661 +1 -179.9748105 +1 19 17 20
H 1.08988674 +1 120.8744833 +1 179.8700922 +1 21 19 17
C 1.35141427 +1 120.8417494 +1 176.0791423 +1 15 1 16
H 1.10486062 +1 117.1989387 +1 4.0532088 +1 23 15 1
Br 2.47824098 +1 144.8630262 +1 -65.1287080 +1 1 2 15