Accuracy
al(iii)i2n2 (dimaal) r
6178 Al(III)I2N2 (DIMAAL) (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)
PULAY PM7
Al(III)I2N2 (DIMAAL)
<Al-I> <><I-Al-I> <Al-Al><><> <Al-N> GR=CCDC
Al 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.50543100 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.52842910 +1 110.7101610 +1 0.0000000 +0 1 2 0
Al 2.76961900 +1 128.3065427 +1 -176.1122222 +1 1 2 3
N 1.94305600 +1 111.1728982 +1 48.1080294 +1 1 2 4
C 2.34274510 +1 62.0213277 +1 -55.0784312 +1 4 1 2
C 1.49305640 +1 120.2757384 +1 20.2888772 +1 5 1 2
C 1.56488466 +1 110.8525847 +1 129.7263217 +1 5 1 7
I 2.56971119 +1 134.4821317 +1 -90.2865160 +1 4 1 6
I 2.57459245 +1 128.6999739 +1 172.0440620 +1 4 1 9
H 2.92858795 +1 100.1260033 +1 -64.6859437 +1 6 4 1
H 1.78870306 +1 92.6725322 +1 -12.1273978 +1 11 6 4
H 1.78695198 +1 60.0188123 +1 -58.9765044 +1 12 11 6
H 1.10139257 +1 165.9642668 +1 -20.5529310 +1 6 4 11
H 1.15359464 +1 82.2847373 +1 154.1311286 +1 6 4 14
H 1.14632315 +1 72.5140561 +1 112.4221186 +1 6 4 15
H 1.10773066 +1 111.5201885 +1 59.2703747 +1 7 5 1
H 1.10739414 +1 111.9947138 +1 120.4038620 +1 7 5 17
H 1.10926357 +1 110.8465663 +1 119.0067534 +1 7 5 18
H 1.10711454 +1 111.9469738 +1 -59.3852993 +1 8 5 1
H 1.11569362 +1 110.1585290 +1 -119.5634954 +1 8 5 20
H 1.15528238 +1 110.7748641 +1 -120.0631219 +1 8 5 21
N 1.59643970 +1 56.1150332 +1 128.5496955 +1 6 4 16
C 1.10687977 +1 36.4507079 +1 37.9638664 +1 13 12 11