Accuracy

Trichloro-bis(trimethylamine)-iron r   3426 Trichloro-bis(trimethylamine)-iron (Geo)

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    #  Species Formula
  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
  3435 Fe2Fe2
  3436 Fe2(CO)9C9O9Fe2


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
Trichloro-bis(trimethylamine)-iron
 <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     2.19526721 +1  120.0004608 +1    0.0000000 +0     1     2     0
  N     2.27460400 +1   86.8712207 +1  -84.8104442 +1     1     2     3
  N     2.02047969 +1   92.5578040 +1 -179.9933098 +1     1     2     4
  C     1.49866884 +1  109.6000029 +1 -179.5436279 +1     5     1     2
  C     1.49872285 +1  109.4758083 +1 -119.9560066 +1     5     1     6
  C     1.48837047 +1  108.9736229 +1 -177.1106933 +1     4     1     2
  C     1.48831340 +1  108.5547253 +1  120.1071760 +1     4     1     8
 Cl     2.19515609 +1  120.3544520 +1   95.2533884 +1     1     2     5
  C     1.48834842 +1  108.4730347 +1  119.8669134 +1     4     1     9
  C     1.49858047 +1  109.5862165 +1 -120.0305277 +1     5     1     7
  H     1.10174558 +1  112.0329636 +1 -179.5056693 +1     6     5     1
  H     1.10945514 +1  110.6582703 +1  120.2097244 +1     6     5    13
  H     1.10939999 +1  110.7047770 +1  119.4847236 +1     6     5    14
  H     1.10139461 +1  112.1049422 +1 -179.5150414 +1     7     5     1
  H     1.10945210 +1  110.6301081 +1 -120.3683166 +1     7     5    16
  H     1.11000984 +1  110.5890846 +1 -119.3633308 +1     7     5    17
  H     1.10727556 +1  110.3385348 +1  -52.6097770 +1     8     4     1
  H     1.10710759 +1  110.5924878 +1  118.7829315 +1     8     4    19
  H     1.10140158 +1  112.4928424 +1  120.6065254 +1     8     4    20
  H     1.10717906 +1  110.3298881 +1  -54.0135162 +1     9     4     1
  H     1.10151576 +1  112.4921945 +1 -120.5973917 +1     9     4    22
  H     1.10743813 +1  110.6103117 +1 -120.5542178 +1     9     4    23
  H     1.10695831 +1  110.6090435 +1   66.2409995 +1    11     4     1
  H     1.10168800 +1  112.4596824 +1  120.5400152 +1    11     4    25
  H     1.10756912 +1  110.3762931 +1  120.3882797 +1    11     4    26
  H     1.10146063 +1  112.0943544 +1 -178.9341322 +1    12     5     1
  H     1.10953640 +1  110.6229521 +1  120.3229665 +1    12     5    28
  H     1.10987607 +1  110.6169417 +1  119.3730997 +1    12     5    29