Accuracy

Hf(IV)O2Cl4 (VEHZAJ) r   7245 Hf(IV)O2Cl4 (VEHZAJ) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7235 Hf(IV)F6(2-) (RENPAB01)F6Hf
  7236 Hafnium(IV) hexafluoride, dianion (Geo)F6Hf
  7237 Trimethyl hafnium chloride (Geo)C3H9ClHf
  7238 Trimethyl hafnium chlorideC3H9ClHf
  7239 Bicyclopentadienyl hafnium dichlorideC10H10Cl2Hf
  7240 Hf(IV)(Cp)2Cl2 (KOKPEF) (Geo)C10H10Cl2Hf
  7241 Hf(IV)(Cp)2Cl2 (KOKPEF)C10H10Cl2Hf
  7242 Hafnium(IV) oxide dichlorideOCl2Hf
  7243 Hafnium(IV) tetrachlorideCl4Hf
  7244 Hafnium(IV) tetrachloride (Geo)Cl4Hf
  7245 Hf(IV)O2Cl4 (VEHZAJ) (Geo) C8H16O2Cl4Hf
  7246 Hf(IV)O2Cl4 (VEHZAJ)C8H16O2Cl4Hf
  7247 Hf(IV)Cl6(2-) (BARWIB) (Geo)Cl6Hf
  7248 Hf(IV)Cl6(2-) (BARWIB)Cl6Hf
  7249 Hafnium(IV) hexachloride, dianion (Geo)Cl6Hf
  7250 Hafnium(I) bromideBrHf
  7251 Hafnium(I) bromide (Geo)BrHf
  7252 Trimethyl hafnium bromide (Geo)C3H9BrHf
  7253 Trimethyl hafnium bromideC3H9BrHf
  7254 Hf(IV)(Cp)2Br2 (VIVMUI) (Geo)C20H30Br2Hf
  7255 Hf(IV)(Cp)2Br2 (VIVMUI)C20H30Br2Hf


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PULAY PM7
Hf(IV)O2Cl4 (VEHZAJ)
 <Hf-Cl> <><Cl-Hf-Cl> <><><> <><><> <Hf-O> GR=CCDC
 Hf     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.36385900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.14746740 +1   93.9483500 +1    0.0000000 +0     1     2     0
 Cl     2.14190884 +1  106.9352048 +1  122.7368885 +1     1     2     3
 Cl     2.14413262 +1  105.0480402 +1  118.4888820 +1     1     2     4
  O     2.19946300 +1  179.9945740 +1  -11.0389170 +1     1     2     5
  O     2.99026477 +1   72.6474119 +1  -58.5125495 +1     1     2     4
  C     1.43977493 +1  118.2887857 +1 -161.8905684 +1     6     1     2
  C     1.53398241 +1  107.9764903 +1 -159.4092017 +1     8     6     1
  C     1.53792798 +1  104.9809727 +1   12.0598844 +1     9     8     6
  C     1.43967469 +1  118.3976404 +1 -134.7781783 +1     6     1     8
  C     1.42089936 +1  122.9491102 +1 -152.0562271 +1     7     1     2
  C     1.53461688 +1  107.3924075 +1 -164.5565679 +1    12     7     1
  C     1.54001488 +1  104.6447031 +1  -17.7226346 +1    13    12     7
  C     1.42190382 +1  126.3999025 +1  170.1442935 +1     7     1    12
  H     1.10283048 +1  104.4045138 +1 -120.7851776 +1     8     6     9
  H     1.10216700 +1  111.3837628 +1 -120.3223544 +1     9     8    10
  H     1.10171657 +1  111.5949128 +1  121.5323210 +1    10     9     8
  H     1.10352545 +1  108.1626476 +1   37.8306257 +1    11     6     1
  H     1.10292582 +1  107.4924663 +1 -121.4621089 +1    12     7    13
  H     1.10036190 +1  111.8406089 +1 -121.1770373 +1    13    12    14
  H     1.10145707 +1  111.4952587 +1 -114.9845536 +1    14    13    12
  H     1.10232092 +1  104.3550827 +1   47.6809609 +1    15     7     1
  H     1.10342483 +1  108.1029707 +1 -117.3535721 +1     8     6    16
  H     1.10143022 +1  111.5184707 +1 -118.6810910 +1     9     8    17
  H     1.10271930 +1  111.0372701 +1  118.5587949 +1    10     9    18
  H     1.10330826 +1  104.3898095 +1 -117.4397537 +1    11     6    19
  H     1.10108477 +1  104.5089733 +1 -117.3260860 +1    12     7    20
  H     1.10236039 +1  111.2521572 +1 -118.9720915 +1    13    12    21
  H     1.10179619 +1  111.1655683 +1 -118.5092285 +1    14    13    22
  H     1.10245764 +1  107.1294125 +1 -117.0376043 +1    15     7    23