PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
FeCp(CO)2(CN) (ACODUR) r
3350 FeCp(CO)2(CN) (ACODUR) (Geo)
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Jmol._Canvas2D (Jmol) "jmolApplet0"
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#
Species
Formula
3340
FeOH
HOFe
3341
FeOH (Geo)
HOFe
3342
FeC9 (BUDFEC01) (Geo)
C9H12OFe
3343
FeC9 (BUDFEC01)
C9H12OFe
3344
FeCO(1,3-C4H6)2
C9H12OFe
3345
FeCO(1,3-C4H6)2 (Geo)
C9H12OFe
3346
FeO2 3B1
O2Fe
3347
FeO2 5B2
O2Fe
3348
Fe(OH)2
H2O2Fe
3349
Methyl iron(III) dihydroxide (Geo)
CH5O2Fe
3350
FeCp(CO)2(CN) (ACODUR) (Geo)
C8H5NO2Fe
3351
FeCp(CO)2(CN) (ACODUR)
C8H5NO2Fe
3352
FeCp(CO)2(MECN)(+) (CPACFE) (Geo)
C9H8NO2Fe
3353
FeCp(CO)2(MECN)(+) (CPACFE)
C9H8NO2Fe
3354
Cyclobutadiene iron tricarbonyl (Geo)
C7H4O3Fe
3355
Fe(CO)3(C4H6)
C7H6O3Fe
3356
Fe(CO)4(2-) (FUZHUD) (Geo)
C4O4Fe
3357
Fe(CO)4(2-)
C4O4Fe
3358
Fe(CO)4H2
C4H2O4Fe
3359
Fe(CO)4H2 (Geo)
C4H2O4Fe
3360
Fe(CO)4(C2H4)
C6H4O4Fe
REF:
The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
For X-Ray structure, contact the CCDC:
http://www.ccdc.cam.ac.uk/