Accuracy

Fe(III)Cl3N2 (FINJIV) r   3424 Fe(III)Cl3N2 (FINJIV) (Geo)

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    #  Species Formula
  3414 Iron(I) chlorideClFe
  3415 Fe(II)(H2O)5.ClH10O5ClFe
  3416 Fe(II)(H2O)5.Cl (Geo)H10O5ClFe
  3417 Aqua-chloro-bis(a-picolinato-N,O)-iron(iii)_(ACPICF) (Geo)C12H10N2O5ClFe
  3418 FeCl2Cl2Fe
  3419 FeCl2 (Geo)Cl2Fe
  3420 Iron(VI) dichloride dioxideO2Cl2Fe
  3421 Dichloro-(N-(2-salicylidene-ethyl)ethanolaminato)-iron(iii)_(WIQMOY) (Geo)C11H15N2O2Cl2Fe
  3422 Dichloro-(N-(2-(2-hydroxyethylamino)ethyl)salicylideneimine)-iron(iii) (WIQMOY) (Geo)C11H15N2O2Cl2Fe
  3423 FeCl3Cl3Fe
  3424 Fe(III)Cl3N2 (FINJIV) (Geo) C6H18N2Cl3Fe
  3425 Fe(III)Cl3N2 (FINJIV)C6H18N2Cl3Fe
  3426 Trichloro-bis(trimethylamine)-iron (Geo)C6H18N2Cl3Fe
  3427 Trichloro-(N,N',N''-trimethyl-triazacyclohexane-N,N',N'')-iron(iii) (Geo)C6H15N3Cl3Fe
  3428 Aqua-(1,10-phenanthroline-N,N')-trichloro-iron(iii) (Geo)C12H10N2OCl3Fe
  3429 Trichloro-(1,4,7-trithiacyclononane)-iron(iii) (Geo)C6H12S3Cl3Fe
  3430 Fe(III)Cl4(-) (Geo)Cl4Fe
  3431 Fe(II)Cl4(2-) (GOXLUA) (Geo)Cl4Fe
  3432 Fe(II)Cl4(2-) (GOXLUA)Cl4Fe
  3433 Fe(III)Cl6Cl6Fe
  3434 Fe(III)Cl6 (DALLIL) (Geo)C3H15N6Cl6Fe


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF SEXTET PM7
Fe(III)Cl3N2 (FINJIV)
 <Fe-Cl> <><Cl-Fe-Cl> <Fe-N> GR=CCDC
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.22877900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.19606639 +1  121.0216900 +1    0.0000000 +0     1     2     0
  N     2.27460400 +1   86.9904950 +1  -84.7950879 +1     1     2     3
  N     2.02100436 +1   92.4683920 +1 -179.9781404 +1     1     2     4
  C     1.49872338 +1  109.6768342 +1  179.2184779 +1     5     1     2
  C     1.49869962 +1  109.6212397 +1 -120.0233881 +1     5     1     6
  C     1.48817622 +1  109.1384742 +1 -177.7235030 +1     4     1     2
  C     1.48829118 +1  108.5947937 +1  120.1817823 +1     4     1     8
 Cl     2.19387273 +1  119.8281979 +1   95.0462176 +1     1     2     5
  C     1.48826571 +1  108.2910504 +1  119.7775371 +1     4     1     9
  C     1.49859942 +1  109.3933495 +1 -120.0115376 +1     5     1     7
  H     1.10169944 +1  112.0349576 +1  178.7690145 +1     6     5     1
  H     1.10933638 +1  110.6613331 +1  120.2934787 +1     6     5    13
  H     1.10951655 +1  110.7030907 +1  119.4603990 +1     6     5    14
  H     1.10140873 +1  112.0868844 +1  178.7618511 +1     7     5     1
  H     1.10951764 +1  110.5908096 +1 -120.3290848 +1     7     5    16
  H     1.10984096 +1  110.6511907 +1 -119.3463385 +1     7     5    17
  H     1.10715880 +1  110.4273334 +1  -55.3273634 +1     8     4     1
  H     1.10712232 +1  110.5285566 +1  118.8801101 +1     8     4    19
  H     1.10153677 +1  112.4614621 +1  120.5444976 +1     8     4    20
  H     1.10711783 +1  110.3686519 +1  -56.1972144 +1     9     4     1
  H     1.10160565 +1  112.4715435 +1 -120.5541092 +1     9     4    22
  H     1.10741112 +1  110.6041685 +1 -120.5099885 +1     9     4    23
  H     1.10703987 +1  110.5574001 +1   64.0755411 +1    11     4     1
  H     1.10171773 +1  112.4730347 +1  120.5097684 +1    11     4    25
  H     1.10754525 +1  110.4155569 +1  120.4005880 +1    11     4    26
  H     1.10151833 +1  112.0885860 +1  179.6247598 +1    12     5     1
  H     1.10946726 +1  110.6402021 +1  120.3215884 +1    12     5    28
  H     1.10994751 +1  110.6043016 +1  119.4280927 +1    12     5    29