Accuracy

ga(iii)cncl2 (afajum) r   3828 Ga(III)CNCl2 (AFAJUM) (Geo)

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    #  Species Formula
  3818 Ga(CH3O)2(CH3S)C3H9O2SGa
  3819 Ga(CH3O)2(CH3S) (Geo)C3H9O2SGa
  3820 [Ga(III)F2](+).H2SH2F2SGa
  3821 [Ga(III)F2](+).H2S (Geo)H2F2SGa
  3822 Ga(III)S6 (EDTCGA01) (Geo)C15H30N3S6Ga
  3823 Ga(III)S6 (EDTCGA01)C15H30N3S6Ga
  3824 Gallium chloride (Geo)ClGa
  3825 Gallium chlorideClGa
  3826 Chlorotrimethyl gallium, anion (Geo)C3H9ClGa
  3827 Dichlorodimethyl gallium, anion (Geo)C2H6Cl2Ga
  3828 Ga(III)CNCl2 (AFAJUM) (Geo) C5H15N2Cl2Ga
  3829 Ga(III)CNCl2 (AFAJUM)C5H15N2Cl2Ga
  3830 Ga(III)N2Cl2 (ABISOT) (Geo)C10H23N2Cl2Ga
  3831 Ga(III)N2Cl2 (ABISOT)C10H23N2Cl2Ga
  3832 Gallium trichloride (Geo)Cl3Ga
  3833 Gallium trichlorideCl3Ga
  3834 Trichloromethyl gallium, anion (Geo)CH3Cl3Ga
  3835 Gallium trichloride-ammonia (Geo)H3NCl3Ga
  3836 Gallium trichloride - ammonia complexH3NCl3Ga
  3837 Ga(III)Cl4(-) (AMIFIL) (Geo)Cl4Ga
  3838 Ga(III)Cl4(-) (AMIFIL)Cl4Ga


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)CNCl2 (AFAJUM)
 <Ga-Cl> <><Cl-Ga-Cl> <Ga-N><><> <Ga-C> GR=CCDC
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.20302200 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.14335058 +1  105.6024250 +1    0.0000000 +0     1     2     0
  N     2.02382700 +1   92.5677449 +1  101.9245298 +1     1     2     3
  C     1.93375700 +1  120.1665316 +1  116.5156051 +1     1     2     4
  H     1.04235017 +1  108.7212457 +1   10.8354690 +1     4     1     2
  N     1.45606527 +1  120.3879720 +1 -125.1054447 +1     4     1     6
  H     1.03533577 +1  108.3825467 +1  -19.8436568 +1     7     4     1
  C     1.50511478 +1  114.7375553 +1  123.1380841 +1     7     4     8
  C     1.52972170 +1  114.1187929 +1  -59.8264364 +1     9     7     4
  H     1.09621282 +1  113.3090239 +1   67.2581617 +1    10     9     7
  H     1.09845829 +1  112.5094778 +1 -121.5167622 +1    10     9    11
  H     1.09723154 +1  111.0024191 +1 -119.1432646 +1    10     9    12
  C     1.53689690 +1  108.8898130 +1  123.6726721 +1     9     7    10
  H     1.09437312 +1  112.9448796 +1  -75.6455231 +1    14     9     7
  H     1.09767042 +1  110.5191515 +1 -119.0443043 +1    14     9    15
  H     1.09714754 +1  111.3122301 +1 -118.8081961 +1    14     9    16
  C     1.54098580 +1  103.6675834 +1  116.9575341 +1     9     7    14
  H     1.09744387 +1  111.5198492 +1  -53.6007810 +1    18     9     7
  H     1.09587308 +1  110.7518071 +1 -119.6374215 +1    18     9    19
  H     1.09669441 +1  112.0228500 +1 -119.5528666 +1    18     9    20
  H     1.09283526 +1  111.3042466 +1  -24.1607655 +1     5     1     2
  H     1.09020064 +1  112.1492962 +1 -121.9812348 +1     5     1    22
  H     1.09609191 +1  109.7957552 +1 -119.3873042 +1     5     1    23
  H     1.04177171 +1  110.7074331 +1 -119.6356346 +1     4     1     7