Accuracy
Mn(CO)3N2I (YOMHEN) r
5912 Mn(CO)3N2I (YOMHEN) (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
Mn(CO)3N2I (YOMHEN)
<Mn-I> <Mn-N><I-Mn-N> <><><> <><><> <><><> <><><> <><><> <><><> <><><> <><><> <><><> <Mn-C> GR=CCDC
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Mn 2.72421800 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.04729200 +1 87.6846120 +1 0.0000000 +0 2 1 0
C 2.42830360 +1 141.5055566 +1 81.0980454 +1 3 2 1
C 1.39263217 +1 90.3688422 +1 -175.8417968 +1 4 3 2
C 1.39027797 +1 119.0516098 +1 0.1999801 +1 5 4 3
C 1.35632004 +1 129.3579588 +1 -174.3048204 +1 3 2 4
C 2.38309709 +1 77.8651313 +1 176.8861907 +1 3 2 7
C 1.39738575 +1 154.3946653 +1 -174.5069503 +1 8 3 2
C 1.39032998 +1 119.6269735 +1 175.1474211 +1 9 8 3
C 1.39019679 +1 118.4921323 +1 0.1704599 +1 10 9 8
C 1.39810348 +1 120.1221411 +1 -0.0696970 +1 11 10 9
C 1.76925400 +1 90.3690203 +1 179.2421448 +1 2 1 3
C 1.85696236 +1 87.6364316 +1 89.4273049 +1 2 1 13
C 1.85355975 +1 93.5671808 +1 -176.8670419 +1 2 14 1
N 1.36937104 +1 122.4737837 +1 -0.0641745 +1 12 11 10
O 1.15749003 +1 125.1413634 +1 -178.3738845 +1 13 1 2
O 1.15016801 +1 122.8179168 +1 179.3614224 +1 14 1 2
O 1.15118319 +1 179.5226056 +1 75.6333365 +1 15 2 13
H 1.08845764 +1 149.2327545 +1 179.4059237 +1 4 3 5
H 1.09115882 +1 120.3272997 +1 179.7630573 +1 5 4 6
H 1.09032319 +1 120.8329022 +1 179.4374511 +1 6 5 4
H 1.10105592 +1 118.6246798 +1 -3.0106262 +1 7 3 2
H 1.08974282 +1 120.1750979 +1 -179.3651033 +1 9 8 10
H 1.08986766 +1 120.6242465 +1 -179.6797588 +1 10 9 11
H 1.09130108 +1 120.7170643 +1 -179.4902393 +1 11 10 12
H 1.10311248 +1 118.4700740 +1 -179.2822103 +1 12 11 16
C 1.37374813 +1 112.4311484 +1 -0.7461398 +1 3 2 8