Accuracy

al(iii)c3i(-) (maimal) r   5871 Al(III)C3I(-) (MAIMAL) (Geo)

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    #  Species Formula
  5861 1,1,1-Trifluoro-2-iodoethaneC2H2F3I
  5862 Iodine pentafluoride (Geo)F5I
  5863 Iodine pentafluorideF5I
  5864 PentafluoroiodobenzeneC6F5I
  5865 Iodine heptafluoride (Geo)F7I
  5866 Iodine heptafluorideF7I
  5867 Sodium iodide, cationNaI
  5868 Sodium iodide (Geo)NaI
  5869 Sodium iodideNaI
  5870 Aluminum iodideAlI
  5871 Al(III)C3I(-) (MAIMAL) (Geo) C3H9AlI
  5872 Al(III)C3I(-) (MAIMAL)C3H9AlI
  5873 IodosilaneH3SiI
  5874 Iodosilane (Geo)H3SiI
  5875 C3PI (DOQVEK) (Geo)C9H21PI
  5876 N2PI (CORGAS) (Geo)C10H20N2PI
  5877 N4PI (SACMUM) (Geo)C6H12N4O2PI
  5878 Iodomethyl methyl sulfideC2H5SI
  5879 Iodine chloride (Geo)ClI
  5880 Iodine chlorideClI
  5881 Iodine monochlorideClI


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=-1 PM7
Al(III)C3I(-) (MAIMAL)
 <Al-I> <Al-C><C-Al-I> GR=CCDC
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     2.66126300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.96366700 +1  107.5609550 +1    0.0000000 +0     2     1     0
  C     2.09986688 +1   98.1942262 +1  122.9200223 +1     2     1     3
  C     2.09991740 +1   98.1603303 +1  114.2226847 +1     2     1     4
  H     1.05449093 +1  146.7628662 +1  179.5712760 +1     3     2     1
  H     1.13588813 +1   78.7044801 +1  121.6555798 +1     3     2     6
  H     1.13464839 +1   79.0236934 +1  115.5312024 +1     3     2     7
  H     1.06348099 +1  118.0837347 +1 -179.3288115 +1     4     2     1
  H     1.08940998 +1   92.7511058 +1 -121.7850629 +1     4     2     9
  H     1.08482481 +1   94.8190013 +1 -115.2332175 +1     4     2    10
  H     1.06343177 +1  118.0437700 +1  179.1645835 +1     5     2     1
  H     1.08324887 +1   96.0206269 +1 -123.9737094 +1     5     2    12
  H     1.09128038 +1   91.5068417 +1 -115.2093766 +1     5     2    13