Accuracy

li(i)(h2o)4(plus) (badtuv10) r   1368 Li(I)(H2O)4(+) (BADTUV10) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1358 VAL-VALC10H20N2O3
  1359 Ile-ile (Geo)C12H24N2O3
  1360 ILE-ILEC12H24N2O3
  1361 LEU-LEUC12H24N2O3
  1362 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1363 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1364 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1365 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  1366 Li(+)(H2O)4H8LiO4
  1367 Li(+)(H2O)4 (Geo)H8LiO4
  1368 Li(I)(H2O)4(+) (BADTUV10) (Geo) H8LiO4
  1369 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1370 B(OH)4, anion (Geo)H4BO4
  1371 TetrahydroxydiboraneH4B2O4
  1372 Oxalic acidC2H2O4
  1373 Formic acid, dimer (Geo)C2H4O4
  1374 Formic acid, dimerC2H4O4
  1375 DioxybismethanolC2H6O4
  1376 (C2H4)BO4H2, anion (Geo)H6BC2O4
  1377 1,4-Dioxan-2,5-dioneC4H4O4
  1378 Dimethyl oxalateC4H6O4


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 PM7
Li(I)(H2O)4(+) (BADTUV10)
 <Li-O> <><O-Li-O> GR=CCDC
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.90783200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.33580005 +1  108.7520880 +1    0.0000000 +0     1     2     0
  O     2.34257319 +1  112.8238183 +1 -123.8027066 +1     1     2     3
  O     2.33586878 +1  112.8059773 +1 -118.8161141 +1     1     2     4
  H     0.96843810 +1  127.0461669 +1 -103.8928245 +1     2     1     3
  H     0.96804143 +1  128.5481597 +1 -179.4190004 +1     2     1     6
  H     0.96314326 +1  127.5648297 +1  174.8559739 +1     3     1     2
  H     0.96308026 +1  127.8318086 +1  179.6171996 +1     3     1     8
  H     0.96337086 +1  126.9098504 +1  149.5650078 +1     4     1     2
  H     0.96313633 +1  128.5025405 +1 -179.5872019 +1     4     1    10
  H     0.96296102 +1  128.9621831 +1  -76.3017033 +1     5     1     2
  H     0.96327812 +1  126.3403378 +1 -178.5600876 +1     5     1    12