Accuracy

ga(iii)2i4s2 (digzau) r   6198 Ga(III)2I4S2 (DIGZAU) (Geo)

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    #  Species Formula
  6188 Cr(III)2(Cp)2I4(0) (KELTAW) (Geo)C20H30Cr2I4
  6189 Cr(III)2I4Cp2 (KELTAW)C20H30Cr2I4
  6190 Fe(III)I4(-) (Geo)FeI4
  6191 Nickel(II) tetraiodide D4h (Geo)NiI4
  6192 Nickel(II) tetraiodide D4hNiI4
  6193 Copper(II) tetraiodide (Geo)CuI4
  6194 Cu(I)2I4(2-) (BIYMIF) (Geo)Cu2I4
  6195 Cu(I)2I4(2-) (BIYMIF)Cu2I4
  6196 Zn(II)I4(2-) (BZDAZP) (Geo)ZnI4
  6197 Zn(II)I4(2-) (BZDAZP)ZnI4
  6198 Ga(III)2I4S2 (DIGZAU) (Geo) C6H14S2Ga2I4
  6199 Ga(III)2I4S2 (DIGZAU)C6H14S2Ga2I4
  6200 Ga(III)4I4S6 (CIFMOT) (Geo)C4H12S6Ga4I4
  6201 Ga(III)4I4S6 (CIFMOT)C4H12S6Ga4I4
  6202 GeI4 (JEDXEV) (Geo)GeI4
  6203 GeI4 (JEDXEV)GeI4
  6204 Germanium tetraiodide (Geo)GeI4
  6205 Germanium tetraiodideGeI4
  6206 Ge2C4I4 (IGECHD10) (Geo)C4H4Ge2I4
  6207 Ge2C4I4 (IGECHD10)C4H4Ge2I4
  6208 Zirconium tetraiodideZrI4


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Ga(III)2I4S2 (DIGZAU)
 <Ga-Ga> <Ga-I> <I-Ga-Ga> <Ga-S> GR=CCDC
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ga     3.13659700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.48235800 +1  104.2308980 +1    0.0000000 +0     1     2     0
  S     2.32646400 +1   48.4600988 +1  104.6365752 +1     1     2     3
  C     2.75258216 +1   99.6778447 +1 -140.5788349 +1     4     1     2
  C     2.51419617 +1   62.7124478 +1  148.7899619 +1     5     4     1
  S     2.35713992 +1   48.4450332 +1  103.6117136 +1     2     1     3
  C     1.88414963 +1  110.2979913 +1 -109.6393079 +1     7     2     1
  I     2.52031237 +1  105.8522871 +1 -104.5451697 +1     2     1     7
  I     2.50294116 +1  138.1775429 +1 -178.3671773 +1     2     1     9
  C     1.51702581 +1  107.4366898 +1  -74.7788547 +1     8     7     2
  C     1.51647507 +1  107.6103709 +1 -120.6264494 +1     8     7    11
  H     2.17033888 +1   54.6640634 +1  -70.2881482 +1     6     5     4
  H     1.10298793 +1  150.6579250 +1  -22.7783258 +1     5     4     6
  H     1.09768999 +1   94.1958782 +1 -133.2743437 +1     5     4    14
  H     1.10035045 +1   87.8360030 +1 -107.3379277 +1     5     4    15
  H     1.10310890 +1   90.5076235 +1  -97.5468946 +1     6     5    13
  H     1.09784908 +1  147.6223001 +1  121.0464666 +1     6     5    17
  H     1.10021390 +1   94.2698273 +1  132.9235808 +1     6     5    18
  H     1.11626045 +1  109.4032701 +1 -119.7996487 +1     8     7    12
  H     1.09780528 +1  113.6644667 +1   64.9730907 +1    11     8     7
  H     1.10285893 +1  110.2982725 +1  118.3883928 +1    11     8    21
  H     1.10009826 +1  113.2063555 +1  118.6566741 +1    11     8    22
  H     1.09760375 +1  113.8002830 +1  -64.9283435 +1    12     8     7
  H     1.10303529 +1  110.2457994 +1 -118.4735199 +1    12     8    24
  H     1.10027364 +1  113.1459924 +1 -118.5601109 +1    12     8    25
  C     1.11619836 +1   41.0082453 +1   35.0382610 +1    13     6     5
  I     2.50453386 +1  138.9521538 +1   76.7802230 +1     1     2     4