Accuracy

V(IV)2Cl9(-) (DOTPAD) r   3131 V(IV)2Cl9(-) (DOTPAD) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3121 V(V)2O8N4 (CEKHUV) (Geo)C22H20N4O8V2
  3122 V(V)2O8N4 (CEKHUV)C22H20N4O8V2
  3123 V(V)2O10 (BAFNEB) (Geo)C14H26O10V2
  3124 V(IV)2F6O4(2-) (BAHLUR) (Geo)H4O4F6V2
  3125 V2C10O8 (CPVFAC) (Geo)C18H10O8F12V2
  3126 V(III)2S8Cl2 (ALACIZ) (Geo)C28H24S8Cl2V2
  3127 Vanadium(II) chloride, dimerCl4V2
  3128 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3129 V2Cl6Cl6V2
  3130 V2Cl6 (Geo)Cl6V2
  3131 V(IV)2Cl9(-) (DOTPAD) (Geo) Cl9V2
  3132 V(IV)2Cl9(-) (DOTPAD)Cl9V2
  3133 Chromium, cationCr
  3134 Chromium, atomCr
  3135 Chromium, anionCr
  3136 Cr(III)C6(3-) (MCRLDX) (Geo)C6H18Cr
  3137 Bicyclopentadienyl chromiumC10H10Cr
  3138 Dibenzene chromiumC12H12Cr
  3139 Cr(II)(NH3)6H18N6Cr
  3140 Cr(II)(NH3)6 (Geo)H18N6Cr
  3141 Cr(III)N6 (SUKFEJ) (Geo)C12H30N6Cr


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 UHF PULAY PM7
V(IV)2Cl9(-) (DOTPAD)
 <V-Cl(t)> <><Cl-V-Cl> <><><> <V-Cl(br)> GR=CCDC
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.18635300 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.21502386 +1   96.5767170 +1    0.0000000 +0     1     2     0
 Cl     2.21588033 +1   95.0858899 +1  -96.0444711 +1     1     2     3
 Cl     2.45794700 +1   89.7330523 +1  -89.5197701 +1     1     2     4
 Cl     2.41236995 +1  172.0336309 +1  -35.5669361 +1     1     2     5
 Cl     2.40859831 +1   89.9649181 +1  -48.5374525 +1     1     2     6
  V     2.41465152 +1   78.3039582 +1   -6.6218187 +1     6     1     2
 Cl     2.21608855 +1   89.7433528 +1 -131.6673490 +1     8     6     1
 Cl     2.21566466 +1  172.6753426 +1  131.0718443 +1     8     6     9
 Cl     2.21551987 +1   89.8746177 +1  134.0357657 +1     8     6    10