Accuracy

(cd(ii)2(cn)7)(3-)   5400 [Cd(II)2(CN)7](3-)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  5390 Cd(II)Br.5(H2O)H10O5BrCd
  5391 Cd(II)Br.5(H2O) (Geo)H10O5BrCd
  5392 Cadmium dibromideBr2Cd
  5393 Cadmium dibromide (Geo)Br2Cd
  5394 Cd(II)S2Br2 (PEKSUT) (Geo)C2H8N4S2Br2Cd
  5395 Cd(II)S2Br2 (PEKSUT)C2H8N4S2Br2Cd
  5396 Cd(II)Br4(2-) (MAMCDB) (Geo)Br4Cd
  5397 Cd(II)Br4(2-) (MAMCDB)Br4Cd
  5398 Cd(II)Br4(=)Br4Cd
  5399 Cd(II)Br4(=) (Geo)Br4Cd
  5400 [Cd(II)2(CN)7](3-) C7N7Cd2
  5401 [Cd(II)2(CN)7](3-) (Geo)C7N7Cd2
  5402 Indium (+++)In
  5403 Indium, dicationIn
  5404 Indium, cationIn
  5405 Indium, atomIn
  5406 Indium hydrideHIn
  5407 Indium hydride (Geo)HIn
  5408 In(III)C2(+) (DMINBR) (Geo)C2H6In
  5409 In(III)C2(+) (DMINBR)C2H6In
  5410 In(III)C3 (TRMEIN) (Geo)C3H9In


ΔHf: 244.6 kcal/mol,     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.
  
 CHARGE=-3 PM7
[Cd(II)2(CN)7](3-)
 H=244.6 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.16287703 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cd     1.99349697 +1  179.9158572 +1    0.0000000 +0     2     1     0
 Cd     2.31351302 +1  179.9884027 +1   -4.8965902 +1     1     2     3
  C     2.28002348 +1  111.3574322 +1  -63.5303923 +1     3     2     1
  C     2.27991322 +1  111.3652594 +1  119.9795869 +1     3     2     5
  C     2.27994464 +1  111.3885353 +1  120.0107020 +1     3     2     6
  C     2.26618491 +1  110.8208210 +1  -57.7767737 +1     4     1     7
  C     2.26626098 +1  110.8311347 +1  119.9764509 +1     4     1     8
  C     2.26618229 +1  110.8486759 +1  119.9876685 +1     4     1     9
  N     1.16181970 +1  150.3760361 +1  179.9654841 +1     6     2     3
  N     1.16191130 +1  150.3819907 +1  179.9955739 +1     5     2     3
  N     1.16195197 +1  150.3961509 +1  179.9712630 +1     7     2     3
  N     1.16138714 +1  148.1092677 +1 -179.9657409 +1    10     1     4
  N     1.16154793 +1  148.1059039 +1 -179.9887602 +1     8     1     4
  N     1.16132769 +1  148.1106393 +1  179.9959241 +1     9     1     4