Accuracy
ZrC12 (JANDIL10) r
4642 ZrC12 (JANDIL10) (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
ZrC12 (JANDIL10)
<Zr-C> <Zr-C><> <><><> <Zr-C> GR=CCDC
Zr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.37499900 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.44728800 +1 90.2425698 +1 0.0000000 +0 1 2 0
C 2.56632146 +1 64.0881174 +1 128.2665095 +1 3 1 2
C 2.39688700 +1 83.3189853 +1 -166.5798296 +1 1 2 3
C 1.39666011 +1 74.9862357 +1 -90.0695636 +1 5 1 2
C 1.41060222 +1 126.6609967 +1 42.3176656 +1 6 5 1
C 1.52148595 +1 122.2532621 +1 33.3679381 +1 7 6 5
C 1.41069602 +1 67.6595438 +1 -32.9024332 +1 3 1 4
C 1.39577356 +1 73.2614393 +1 143.7860996 +1 3 1 9
C 1.44988949 +1 129.9692065 +1 -48.4051923 +1 10 3 1
C 1.39889373 +1 129.7828648 +1 -3.3940639 +1 11 10 3
C 1.40488925 +1 126.9011744 +1 8.5902657 +1 12 11 10
H 1.08430623 +1 129.3508247 +1 -2.2683720 +1 2 1 3
H 2.13504645 +1 95.6383296 +1 97.0147870 +1 2 1 14
H 2.14019409 +1 92.8905892 +1 161.4017806 +1 5 1 6
H 1.09637955 +1 137.1450535 +1 86.0220965 +1 5 1 16
H 1.10061587 +1 116.7017465 +1 -174.8516185 +1 6 5 7
H 1.08418105 +1 119.0154697 +1 154.9116277 +1 7 6 8
H 1.12077285 +1 106.5390707 +1 65.0986913 +1 8 7 6
H 1.11405305 +1 108.7937032 +1 113.9450594 +1 8 7 20
H 1.08389360 +1 119.1464503 +1 -128.1151687 +1 9 3 1
H 1.10143363 +1 135.5344922 +1 111.0304584 +1 3 1 10
H 1.09522665 +1 116.4433764 +1 -175.7395159 +1 10 3 11
H 1.09509535 +1 113.4872503 +1 -172.8362400 +1 11 10 12
H 1.10106503 +1 116.4324086 +1 175.6892857 +1 12 11 13
H 1.08425446 +1 119.1138789 +1 172.6954644 +1 13 12 11
H 1.11375972 +1 136.6554089 +1 -91.5972453 +1 4 3 1
H 1.12036003 +1 93.5537101 +1 -118.1506686 +1 4 3 28
C 1.10141177 +1 35.9257951 +1 46.9515110 +1 15 2 1
C 1.09422501 +1 38.4437942 +1 -43.1493744 +1 16 5 1