Accuracy

Ti(IV)I4Cp (JOHJOF) r   6247 Ti(IV)I4Cp (JOHJOF) (Geo)

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    #  Species Formula
  6237 Yttrium(III) hexaiodideYI6
  6238 Zirconium hexaiodide, dianion (Geo)ZrI6
  6239 Niobium(V) hexaiodide, anion (Geo)NbI6
  6240 Niobium(V) hexaiodideNbI6
  6241 Indium triiodide, dimerIn2I6
  6242 Indium triiodide, dimer (Geo)In2I6
  6243 SbI6(-)SbI6
  6244 SbI6(-) (Geo)SbI6
  6245 Te(IV)I6(2-) (CEMFEF10) (Geo)TeI6
  6246 Te(IV)I6(2-) (CEMFEF10)TeI6
  6247 Ti(IV)I4Cp (JOHJOF) (Geo) C6H6Al2TiI8
  6248 Ti(II)I4(Ar) (TEFCEM) (Geo)C9H12Al2TiI8
  6249 Te(IV)I6(2-) (IZOWAV) (Geo)Te2I10
  6250 Te(IV)I6(2-) (IZOWAV)Te2I10
  6251 Xenon, cationXe
  6252 Xenon, atomXe
  6253 Xenon Lithium, cation (Geo)LiXe
  6254 Xenon tetroxideO4Xe
  6255 Xenon tetroxide (Geo)O4Xe
  6256 Xenon fluoride, anion (Geo)FXe
  6257 Xenon tetrafluoride (Geo)F4Xe


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Ti(IV)I4Cp (JOHJOF)
 <Ti-I> <Ti-Al><I-Ti-Al> <Ti-C> GR=CCDC
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     2.94620900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Al     3.85770400 +1  118.3804230 +1    0.0000000 +0     2     1     0
  C     2.53056900 +1  102.3125200 +1 -166.5521852 +1     2     1     3
  I     2.62407543 +1   52.2514868 +1  -29.8996469 +1     3     2     1
  I     2.63286560 +1   51.5439271 +1  146.5096851 +1     3     2     5
  I     2.48097924 +1  100.1239962 +1  106.3865765 +1     3     2     6
  I     2.46997160 +1  137.8179200 +1 -178.9696790 +1     3     2     7
 Al     2.67958434 +1   92.0233863 +1 -136.9068239 +1     1     2     3
  C     1.41866428 +1   69.9707594 +1 -174.5904992 +1     4     2     1
  C     1.41803553 +1  120.1290288 +1  -62.7602432 +1    10     4     2
  C     1.40643128 +1  119.8866402 +1    7.8384750 +1    11    10     4
  C     1.42222739 +1  119.7094033 +1    0.2014859 +1    12    11    10
  C     1.40618550 +1   71.7705610 +1 -132.1905853 +1     4     2    10
  H     1.10064956 +1  134.6741508 +1 -115.2598853 +1     4     2    14
  H     1.10201532 +1  119.2876003 +1 -167.0505008 +1    10     4    11
  H     1.10247455 +1  119.2313605 +1 -173.5229708 +1    11    10    12
  H     1.10276753 +1  120.5912588 +1 -172.2329528 +1    12    11    13
  H     1.10258905 +1  119.3916336 +1 -173.3318368 +1    13    12    11
  H     1.10226431 +1  120.1912326 +1 -132.0819638 +1    14     4     2
  I     2.47340706 +1  105.1444622 +1  -86.0363798 +1     9     1     2
  I     2.65600680 +1   92.3091407 +1  106.9502689 +1     9     1    21
  I     2.45011515 +1  106.7341573 +1  109.4349403 +1     9     1    22