PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ni(ii)(cn)5r   3515 Pentacyanonickelate(II) ion (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3505 Co(II)Cl4(2-) (DMDPCO) (Geo)Cl4Co
  3506 Co2(CO)8C8O8Co2
  3507 Co2(CO)8 (Geo)C8O8Co2
  3508 Cobalt dichloride, dimerCl4Co2
  3509 Nickel, cationNi
  3510 Nickel, atomNi
  3511 Ni(II)(NH3)4H12N4Ni
  3512 Ni(II)(NH3)4 (Geo)H12N4Ni
  3513 Ni(II)(CN)4C4N4Ni
  3514 Ni(II)(CN)4 (Geo)C4N4Ni
  3515 Pentacyanonickelate(II) ion (Geo) C5N5Ni
  3516 Pentacyanonickelate(II) ionC5N5Ni
  3517 Ni(II)(NH3)6H18N6Ni
  3518 Ni(II)(NH3)6 (Geo)H18N6Ni
  3519 Ni(II)(en)3 (Geo)C6H24N6Ni
  3520 Ni(II)N6(2+) (AEAMNI10) (Geo)C8H26N6Ni
  3521 Nickel phthalocyanine (Geo)C32H16N8Ni
  3522 Nickel monoxideONi
  3523 cis-Ni(II)(OH)2.(H2O)2H6O4Ni
  3524 cis-Ni(II)(OH)2.(H2O)2 (Geo)H6O4Ni
  3525 trans-Ni(II)(OH)2.(H2O)2H6O4Ni


REF: K. N. Raymond and P. W. R. Corfield, Inorg. Chem., 7, 1362 (1968).
  
 RELSCF=100 SHIFT=5 SYMMETRY CHARGE=-2 PM7
Pentacyanonickelate(II) ion
 <Ni-C(ap)> <Ni-C(ba)> GR=RC68
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.17000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.87000000 +1  103.7070941 +1    0.0000000 +0     1     2     0
  C     1.87000000 +0  103.7070941 +0   90.0000000 +0     1     2     3
  C     1.87000000 +0  103.7070941 +0  180.0000000 +0     1     2     3
  C     1.87000000 +0  103.7070941 +0  -90.0000000 +0     1     2     3
  N     1.16929987 +1  180.0000000 +0    0.0000000 +0     2     1     3
  N     1.16947078 +1  179.7249528 +1 -135.1882548 +1     3     1     2
  N     1.16947078 +0  179.7249528 +0 -135.1899314 +1     4     1     2
  N     1.16947078 +0  179.7249528 +0 -135.1895259 +1     5     1     2
  N     1.16947078 +0  179.7249528 +0 -135.1886597 +1     6     1     2