Accuracy

Ti(IV)2OCl4Cp2 (CYTIDC) r   2998 Ti(IV)2OCl4Cp2 (CYTIDC) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2988 Ti(IV)Cl4N2 (GAMGAC) (Geo)C10H10N2Cl4Ti
  2989 Ti(IV)Cl4O2 (BOMFAK) (Geo)C4H10O2Cl4Ti
  2990 Ti(IV)Cl4O2C4H10O2Cl4Ti
  2991 Ti(IV)Cl4S(=) (GERHAM) (Geo)SCl4Ti
  2992 Ti(IV)Cl6(2-) (BARMAJ) (Geo)Cl6Ti
  2993 Ti(IV)Cl6(2-)Cl6Ti
  2994 Ti(III)Cl6 2T2gCl6Ti
  2995 Bicyclopentadienyl titanium di(trichloroacetate)C14H10O4Cl6Ti
  2996 Ti(II)(C6H6)Cl4 (BELYIA01) (Geo)C6H6Al2Cl8Ti
  2997 Titanium, dimer (Geo)Ti2
  2998 Ti(IV)2OCl4Cp2 (CYTIDC) (Geo) C10H10OCl4Ti2
  2999 Cl2(C2H5O)Ti-(C2H5O)2-TiCl2(C2H5O) (Geo)C8H20O4Cl4Ti2
  3000 Ti(IV)2O6Cl6 (YARSOZ) r (Geo)C10H20O6Cl6Ti2
  3001 Ti(III)2Cl6(PMe3)3 (LETMIG) (Geo)C12H36P4Cl6Ti2
  3002 Ti(IV)2Cl9(MeCN)2 (MALYAZ) r (Geo)C4H6N2Cl8Ti2
  3003 Ti(IV)2Cl9(MeCN)2C4H6N2Cl8Ti2
  3004 Ti(IV)2Cl8O2 (GEXSAD) (Geo)C8H16O2Cl8Ti2
  3005 Ti(IV)2Cl8O2 (CLNMTI) (Geo)C2H6N2O4Cl8Ti2
  3006 Ti(IV)2Cl8O2C2H6N2O4Cl8Ti2
  3007 Ti2Cl9, anion (Geo)Cl9Ti2
  3008 V, cationV


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Ti(IV)2OCl4Cp2 (CYTIDC)
 <Ti-O> <Ti-Cl><O-Ti-Cl> <><><> <Ti-C> GR=CCDC
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.73205000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.27746000 +1  104.0374830 +1    0.0000000 +0     1     2     0
 Cl     2.22523128 +1  100.6474552 +1  101.8978128 +1     1     2     3
  C     2.25863200 +1   97.1431074 +1  152.0277891 +1     1     2     4
  C     1.44216948 +1   73.7694878 +1  -80.7969729 +1     5     1     2
 Ti     1.87622205 +1  133.7967834 +1 -177.3370847 +1     2     3     1
 Cl     2.20427790 +1  100.5264571 +1   50.5609101 +1     7     2     5
 Cl     2.19799817 +1  101.1100977 +1 -103.5607366 +1     7     2     8
  C     2.33962394 +1  124.1395606 +1  -94.2956712 +1     7     2     9
  C     1.43287932 +1   72.1648528 +1 -138.5716885 +1    10     7     2
  C     1.43856296 +1  108.0004091 +1   63.6325985 +1    11    10     7
  C     1.43676866 +1  108.0562944 +1    0.2091223 +1    12    11    10
  C     1.44001036 +1   71.9509828 +1  116.6195686 +1    10     7    11
  H     2.24469420 +1  130.3722065 +1  -69.1829560 +1     6     5     1
  H     2.68224322 +1   85.5744687 +1    1.1254676 +1    15     6     5
  H     2.25189737 +1   88.5750915 +1 -132.9203921 +1     5     1     6
  H     1.08611432 +1  130.0987370 +1 -104.4863788 +1     5     1    17
  H     1.08441597 +1  125.7398938 +1 -165.0948197 +1     6     5    15
  H     1.08448625 +1  130.9623386 +1  121.3412241 +1    10     7    14
  H     1.08260408 +1  125.5719375 +1  168.3311245 +1    11    10    12
  H     1.08395807 +1  125.3648507 +1  168.0829886 +1    12    11    13
  H     1.08570529 +1  125.6332256 +1  168.9023594 +1    13    12    11
  H     1.08526235 +1  125.5575003 +1  127.5117449 +1    14    10     7
  C     1.08290231 +1   31.2841422 +1   10.5690177 +1    15     6    16
  C     1.08151495 +1   54.9396815 +1    6.1220070 +1    16    15     6
  C     1.08423146 +1   31.5716867 +1   51.5964946 +1    17     5     1