Accuracy
Cu(II)N2Br2 (BTMECU) r
4329 Cu(II)N2Br2 (BTMECU) (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
Cu(II)N2Br2 (BTMECU)
<Cu-Br> <><Br-Cu-Br> <Cu-N><N-Cu-Br> GR=CCDC
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cu 2.41929900 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.48693946 +1 92.9204500 +1 0.0000000 +0 2 1 0
N 2.10302200 +1 91.6293380 +1 109.3562684 +1 2 1 3
N 1.95373815 +1 115.2671295 +1 89.7135245 +1 2 1 4
C 1.48587737 +1 119.9713837 +1 17.4125119 +1 4 2 1
C 1.48683820 +1 106.8858915 +1 -124.1700577 +1 4 2 6
C 1.48805299 +1 108.5585430 +1 34.0868595 +1 5 2 1
C 1.48643148 +1 109.8800175 +1 120.3015674 +1 5 2 8
H 2.14778813 +1 92.2317302 +1 -87.3384407 +1 4 2 7
H 1.76177065 +1 67.0888555 +1 -141.7648541 +1 10 4 2
H 2.17912157 +1 132.4697743 +1 105.9139407 +1 5 2 9
H 1.77085343 +1 64.8795393 +1 66.6258695 +1 12 5 2
H 1.10109033 +1 110.8895252 +1 51.2951401 +1 6 4 2
H 1.09917047 +1 113.4361573 +1 122.1780757 +1 6 4 14
H 1.11174492 +1 109.7642151 +1 119.9582346 +1 6 4 15
H 1.10202654 +1 111.3705669 +1 -52.1227910 +1 7 4 2
H 1.09895747 +1 114.2337791 +1 -122.4427406 +1 7 4 17
H 1.11429393 +1 108.7177280 +1 -119.5702724 +1 7 4 18
H 1.09990444 +1 114.1032667 +1 -177.6827454 +1 8 5 2
H 1.11025572 +1 110.3712455 +1 120.6323778 +1 8 5 20
H 1.10632667 +1 110.2773676 +1 118.7920419 +1 8 5 21
H 1.10235130 +1 113.8762190 +1 -177.6883660 +1 9 5 2
H 1.10355844 +1 110.6565484 +1 -120.4962394 +1 9 5 23
H 1.10728806 +1 110.1087318 +1 -119.9753009 +1 9 5 24
C 1.11043886 +1 37.5285021 +1 37.0880640 +1 11 10 4
C 1.10850744 +1 39.4340183 +1 -35.7411515 +1 12 5 13