Accuracy

Fe(III)Cl6 (DALLIL) r   3434 Fe(III)Cl6 (DALLIL) (Geo)

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    #  Species Formula
  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
  3437 Fe2(CO)9 (Geo)C9O9Fe2
  3438 Iron dichloride, dimerCl4Fe2
  3439 Iron trichloride, dimerCl6Fe2
  3440 Cobalt, cationCo
  3441 Cobalt, atomCo
  3442 Bicyclopentadienyl cobaltC10H10Co
  3443 Co(II)Cp2 (DCYPCO) (Geo)C10H10Co
  3444 Co(II)Cp2 (DCYPCO)C10H10Co


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
Fe(III)Cl6 (DALLIL)
 <Fe-Cl> GR=CCDC
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.39062500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.26136913 +1   84.8660781 +1    0.0000000 +0     1     2     0
 Cl     2.26529540 +1   87.1810245 +1 -169.0064855 +1     1     3     2
 Cl     2.24081502 +1   83.2396110 +1  -87.8908508 +1     1     2     3
 Cl     2.23700219 +1   85.1019042 +1 -166.7216635 +1     1     2     5
 Cl     2.28336249 +1  104.6989823 +1   83.9915650 +1     1     2     6
  C     2.43340646 +1  101.7118221 +1   71.4886002 +1     3     1     2
  N     1.35682065 +1   98.8187082 +1   68.8992444 +1     8     3     1
  N     1.35162065 +1  101.5048985 +1 -124.3689180 +1     8     3     9
  C     3.35301901 +1   76.4653264 +1  170.6653528 +1     5     1     2
  H     1.11553163 +1   82.3749317 +1 -117.7870690 +1     8     3    10
  H     1.02171825 +1  121.1121779 +1  -87.1330912 +1     9     8     3
  H     1.01037155 +1  119.0463831 +1  150.0070087 +1     9     8    13
  H     1.02034790 +1  121.2255480 +1   84.1329650 +1    10     8     3
  H     1.01902108 +1  118.7819956 +1 -147.4867483 +1    10     8    15
  N     1.35660665 +1   67.0573903 +1  106.6975678 +1    11     5     1
  N     1.35475272 +1   65.0715710 +1  145.1102121 +1    11     5    17
  H     1.11585839 +1  159.7591861 +1  104.7557682 +1    11     5    18
  H     1.02041618 +1  121.2527467 +1   13.5577252 +1    17    11     5
  H     1.01455830 +1  118.5701397 +1 -147.8725303 +1    17    11    20
  H     1.02269640 +1  121.6024378 +1  -17.4926633 +1    18    11     5
  H     1.01154539 +1  119.2354106 +1  151.0797667 +1    18    11    22
  C     3.34437382 +1   76.3480413 +1  171.2109315 +1     2     1     3
  N     1.35281887 +1   64.4805252 +1 -108.2873357 +1    24     2     1
  N     1.35611107 +1   66.3571982 +1 -147.0904009 +1    24     2    25
  H     1.11476340 +1  161.3583368 +1 -108.7424178 +1    24     2    26
  H     1.02691871 +1  121.3819211 +1  -15.0358482 +1    25    24     2
  H     1.01042532 +1  119.3567797 +1  151.2058312 +1    25    24    28
  H     1.02148326 +1  120.9629978 +1   12.8599822 +1    26    24     2
  H     1.01403091 +1  118.7603769 +1 -148.7522892 +1    26    24    30