Accuracy
Ni(II)(DMG) (NIMGLO10) r
3535 Ni(II)(DMG) (NIMGLO10) (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 TRIPLET PM7
Ni(II)(DMG) (NIMGLO10)
<Ni-N> <><N-Ni-N> GR=CCDC
Ni 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.84925700 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.99530526 +1 83.0601240 +1 0.0000000 +0 1 2 0
N 1.92956415 +1 105.5916833 +1 -171.0139538 +1 1 3 2
C 1.31678369 +1 109.5597990 +1 -123.7481648 +1 4 1 3
C 1.44597312 +1 109.2891345 +1 4.8612975 +1 3 1 2
C 1.48773058 +1 126.6740901 +1 146.4647267 +1 5 4 1
C 1.47711079 +1 118.8872239 +1 176.6113101 +1 6 3 1
N 1.89675748 +1 94.5845735 +1 -149.7124752 +1 1 2 6
C 1.33194544 +1 113.8596215 +1 -173.7696125 +1 9 1 2
C 1.36727056 +1 119.3627465 +1 -1.7856570 +1 2 1 3
O 1.27435055 +1 125.0287109 +1 161.9030881 +1 9 1 10
O 1.34641384 +1 126.8920976 +1 173.0449567 +1 2 1 11
C 1.48386959 +1 126.9754276 +1 168.3052111 +1 10 9 1
C 1.48884764 +1 123.2194084 +1 177.2809484 +1 11 2 1
H 1.10330536 +1 111.5729397 +1 -34.0957475 +1 7 5 4
H 1.10204490 +1 110.6918753 +1 118.7744737 +1 7 5 16
H 1.09898717 +1 112.1424880 +1 120.1400887 +1 7 5 17
H 1.10290517 +1 111.4076036 +1 -16.8644622 +1 8 6 3
H 1.10154990 +1 111.2368956 +1 119.2067688 +1 8 6 19
H 1.09978511 +1 111.8138807 +1 120.6400041 +1 8 6 20
H 1.09703212 +1 112.2087458 +1 -136.8261899 +1 14 10 9
H 1.10577826 +1 110.3902968 +1 119.8065442 +1 14 10 22
H 1.09908986 +1 111.6122190 +1 118.6025785 +1 14 10 23
H 1.09691487 +1 112.3748497 +1 -155.2529682 +1 15 11 2
H 1.10373140 +1 111.2953885 +1 120.8175261 +1 15 11 25
H 1.10132859 +1 110.7526856 +1 118.3927948 +1 15 11 26
O 1.30439008 +1 62.2837223 +1 105.4501857 +1 3 1 6
O 1.38683752 +1 122.6488590 +1 136.8910787 +1 4 1 5
H 1.02604884 +1 102.6751946 +1 20.0753539 +1 29 4 1
H 1.09792209 +1 103.6588825 +1 -20.3019688 +1 13 2 1