Accuracy

Cr(III)O6(3plus) (TAPBUH) r   3171 Cr(III)(H2O)6 (3+) (TAPBUH) (Geo)

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    #  Species Formula
  3161 Cr(CO)3(Ph-O-Me)C10H8O4Cr
  3162 Cr(CO)4(C7)C11H8O4Cr
  3163 Cr(O-t-butyl)4C16H36O4Cr
  3164 Cr(CO)4(Py)2C14H10N2O4Cr
  3165 Cr(CO)4(Piperidine)2C14H20N2O4Cr
  3166 Cr(NO)4N4O4Cr
  3167 Cr(NO)4 (Geo)N4O4Cr
  3168 Cr(CO)5C5O5Cr
  3169 Cr(CO)5(Py)C10H5NO5Cr
  3170 Cr(CO)5(Piperidine)C10H10NO5Cr
  3171 Cr(III)(H2O)6 (3+) (TAPBUH) (Geo) H12O6Cr
  3172 Cr(II)(H2O)6H12O6Cr
  3173 Cr(II)(H2O)6 (Geo)H12O6Cr
  3174 Chromium hexacarbonylC6O6Cr
  3175 Chromium hexacarbonyl (Geo)C6O6Cr
  3176 Cr(III)O3(1+) (BAPWIZ) (Geo)C10H18O6Cr
  3177 Cr(III)O6(1+) (ATOLAW) (Geo)C14H14O6Cr
  3178 Cr(III)O6 (ACACCR) (Geo)C15H21O6Cr
  3179 Chromium(III) EDTA (Geo)C10H12N2O8Cr
  3180 Cr(III)O6 (KOXACR)C4H4O10Cr
  3181 Cr(III)O6 (KOXACR) (Geo)C4H4O10Cr


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 QUARTET UHF CHARGE=3 PM7
Cr(III)(H2O)6 (3+) (TAPBUH)
 <Cr-O> GR=CCDC
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.95862400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.01802716 +1   90.5002425 +1    0.0000000 +0     1     2     0
  O     2.01829417 +1   90.4080507 +1  -89.8474783 +1     1     2     3
  H     1.01459759 +1  129.5675320 +1   92.1630236 +1     2     1     3
  H     1.01471023 +1  129.3393145 +1 -179.5371954 +1     2     1     5
  H     1.00874425 +1  128.9318978 +1  179.9636026 +1     3     1     2
  H     1.00811267 +1  129.4173562 +1  179.4480810 +1     3     1     7
  H     1.00834478 +1  129.1203823 +1  -90.1237030 +1     4     1     2
  H     1.00855842 +1  129.1745559 +1  179.8471904 +1     4     1     9
  O     2.02220381 +1   89.7523634 +1  179.9099114 +1     1     4     2
  O     2.01837292 +1   90.2368847 +1   92.9785145 +1     1     2     6
  O     2.01813837 +1   89.9259480 +1  -90.0863089 +1     1     2    12
  H     1.00796997 +1  129.2360260 +1  179.7505983 +1    11     1     4
  H     1.00802032 +1  129.1406480 +1 -179.8742843 +1    11     1    14
  H     1.00793634 +1  129.4666527 +1    0.3658973 +1    12     1     2
  H     1.00871680 +1  128.8733674 +1 -179.7826888 +1    12     1    16
  H     1.00858375 +1  129.2628517 +1  -91.7516342 +1    13     1     2
  H     1.00852271 +1  129.0339434 +1 -179.2126303 +1    13     1    18