Accuracy

cis-sr(ii)(h2o)4.f2r   4515 cis-Sr(II)(H2O)4.F2 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  4505 Sr(II)O8(2+) (POXKOC)H16O8Sr
  4506 Sr(II)O9(2+) (WAZFUY) (Geo)C12H36N6O9Sr
  4507 Sr(II)O9(2+) (WAZFUY)C12H36N6O9Sr
  4508 Sr(II)O8(2+) (NASYEL) (Geo)C10H30O10Sr
  4509 Sr(II)O8(2+) (NASYEL)C10H30O10Sr
  4510 Strontium fluorideFSr
  4511 Sr(II)(H2O)5.FH10O5FSr
  4512 Sr(II)(H2O)5.F (Geo)H10O5FSr
  4513 Strontium difluorideF2Sr
  4514 cis-Sr(II)(H2O)4.F2H8O4F2Sr
  4515 cis-Sr(II)(H2O)4.F2 (Geo) H8O4F2Sr
  4516 Sr(II)N6F3 (UDIRAA) (Geo)C20H20B2N12F8Sr
  4517 Sr(II)O4N4 (NUPSAS) (Geo)C30H18N4O4F12Sr
  4518 Sr(II)O8(2-) (RIZHAJ) (Geo)C20H16O8F12Sr
  4519 Sr(II)O8(2-) (RIZHAJ)C20H16O8F12Sr
  4520 Strontium sulfide (Geo)SSr
  4521 Strontium sulfideSSr
  4522 Sr(II)O4S2 (YUGMOC)a (Geo)C28H42O4S2Sr
  4523 Sr(II)O4S2 (YUGMOC)aC28H42O4S2Sr
  4524 Sr(II)O6N2 (FUYDAE) (Geo)C10H20N2O6S2Sr
  4525 Sr(II)O6N2 (FUYDAE)C10H20N2O6S2Sr


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
cis-Sr(II)(H2O)4.F2
 <Sr-F> <Sr-O><> <><><> <><><> <><F-Sr-F> GR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.34914600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.56865500 +1  104.9929823 +1    0.0000000 +0     2     1     0
  O     2.62038702 +1   52.5719196 +1 -100.3707037 +1     2     1     3
  O     2.22165448 +1   72.6011720 +1 -153.2594149 +1     1     2     3
  F     1.76977659 +1  131.3355450 +1   72.0357617 +1     1     2     5
  O     3.19767215 +1   41.2951089 +1   87.0654804 +1     6     1     2
  H     1.00867425 +1  118.5353367 +1  -82.4133199 +1     7     6     1
  H     0.95654800 +1   89.0647276 +1 -105.8005002 +1     7     6     8
  H     0.97685698 +1   64.8406388 +1 -136.3793668 +1     4     2     1
  H     0.97484785 +1   81.8390712 +1 -108.0661223 +1     4     2    10
  H     0.97017180 +1   61.1338438 +1 -135.8764755 +1     3     2     1
  H     0.97280360 +1   59.5306079 +1 -127.2648819 +1     3     2    12
  H     0.96559759 +1  112.9795546 +1  122.5147947 +1     5     1     2
  H     0.97366576 +1  111.2476930 +1 -117.7946166 +1     5     1    14