Accuracy

N4PI (SACMUM) r   5877 N4PI (SACMUM) (Geo)

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    #  Species Formula
  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
  5882 1,2-ChloroiodoethaneC2H4ClI
  5883 1-Chloro-4-iodobutadieneC4H4ClI
  5884 Potassium iodide (Geo)KI
  5885 Potassium iodideKI
  5886 K(+)(H2O)5.I (Geo)H10O5KI
  5887 K(+)(H2O)5.IH10O5KI


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
N4PI (SACMUM)
 <P-I> <P-N><N-P-I> GR=CCDC
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     2.45785000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.66946300 +1  114.7218710 +1    0.0000000 +0     2     1     0
  N     1.87726892 +1   99.8221430 +1  -78.0826951 +1     2     1     3
  N     1.76488699 +1  108.4305947 +1 -100.4475630 +1     2     1     4
  N     1.85115698 +1  100.5338122 +1  -76.8018704 +1     2     1     5
  O     2.39474936 +1  120.2367460 +1  -94.4782516 +1     3     2     1
  O     2.39579321 +1  113.8418072 +1  107.1775606 +1     6     2     1
  C     1.48351126 +1  130.9126016 +1 -138.5785028 +1     3     2     7
  C     1.19869582 +1   29.2213474 +1    1.4262020 +1     7     3     2
  C     1.46640253 +1  134.1717778 +1  -22.3688322 +1     4     2     1
  C     1.47683186 +1  129.0391941 +1  129.8075943 +1     5     2     1
  C     1.20081688 +1   25.8510093 +1   -0.8329624 +1     8     6     2
  C     1.46811356 +1  133.8225369 +1 -137.2066401 +1     6     2     8
  H     1.11083082 +1  106.1730115 +1  179.7627763 +1     9     3     2
  H     1.10363348 +1  114.8076317 +1 -119.3752469 +1     9     3    15
  H     1.10566225 +1  111.0563766 +1 -123.0949948 +1     9     3    16
  H     1.10885805 +1  108.0178019 +1 -176.0525242 +1    11     4     2
  H     1.10309014 +1  114.6435036 +1 -119.9652514 +1    11     4    18
  H     1.10527116 +1  109.9732274 +1 -122.5100508 +1    11     4    19
  H     1.11086492 +1  106.2765994 +1  179.2970029 +1    12     5     2
  H     1.10305238 +1  115.2458650 +1 -119.6390263 +1    12     5    21
  H     1.10597407 +1  110.7074717 +1 -123.0549724 +1    12     5    22
  H     1.10943014 +1  107.8293645 +1 -176.8627651 +1    14     6     2
  H     1.10326196 +1  114.5880408 +1 -119.5144949 +1    14     6    24
  H     1.10437891 +1  110.2685916 +1 -122.7748813 +1    14     6    25