Accuracy
Sc(III)O4N4(-) (HYZCSC) r
2823 Sc(III)O4N4(-) (HYZCSC) (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)
CHARGE=-1 PM7
Sc(III)O4N4(-) (HYZCSC)
<Sc-O> <Sc-N> <O-Sc-N> GR=CCDC
Sc 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.17219000 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.34204100 +1 68.8244450 +1 0.0000000 +0 1 2 0
C 3.08639185 +1 122.9618355 +1 -169.4707901 +1 1 2 3
N 3.68997805 +1 62.1684563 +1 -104.1783049 +1 2 1 3
N 1.42406070 +1 38.8528968 +1 -77.9281621 +1 5 2 1
N 1.42784466 +1 115.9097866 +1 -2.4959592 +1 3 1 2
N 3.29028097 +1 89.9482831 +1 83.5589909 +1 1 2 4
N 1.42332672 +1 45.1390561 +1 -44.5618385 +1 8 1 2
N 1.45427042 +1 84.5648712 +1 -158.8696269 +1 4 1 2
N 1.42349356 +1 113.4106897 +1 -9.7520535 +1 10 4 1
O 2.17075051 +1 104.1017153 +1 150.4966087 +1 1 2 8
O 2.22915973 +1 148.6904447 +1 33.0647385 +1 12 1 2
O 2.23674472 +1 150.2754371 +1 84.1846824 +1 2 1 5
O 2.16920044 +1 122.4268162 +1 -117.3800596 +1 1 2 12
O 2.26829948 +1 97.8995945 +1 -162.8807881 +1 8 1 9
O 1.27932599 +1 34.4211002 +1 162.4439179 +1 4 1 10
O 1.21547234 +1 158.2982548 +1 35.2176660 +1 4 1 17
H 1.01992481 +1 108.1242352 +1 -105.8575660 +1 5 2 6
H 1.02090401 +1 112.8796641 +1 -67.9235979 +1 6 5 2
H 1.02625628 +1 107.7855215 +1 -122.5343464 +1 6 5 20
H 1.01893824 +1 113.6024909 +1 142.9068283 +1 7 3 1
H 1.02784577 +1 106.6432163 +1 125.7537686 +1 3 1 7
H 1.03355700 +1 105.2096764 +1 116.4017487 +1 3 1 23
H 1.01993420 +1 145.7861362 +1 99.1481029 +1 8 1 16
H 1.02150626 +1 112.9468215 +1 -121.3632302 +1 9 8 1
H 1.01968737 +1 114.3471827 +1 -133.0604550 +1 10 4 11
H 1.02656441 +1 107.7883869 +1 128.2940397 +1 11 10 4
H 1.02115275 +1 112.9521518 +1 122.7175621 +1 11 10 28
C 1.21569505 +1 27.4148410 +1 33.0285047 +1 13 12 1
C 1.21383645 +1 26.6358708 +1 22.4745437 +1 14 2 1
C 1.21550984 +1 35.1878245 +1 -7.8591925 +1 16 8 1
H 1.02566007 +1 107.8912374 +1 -122.6785700 +1 9 8 26