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cis-Dicyanotetra(methylisocyanide) iron(ii) (CNMCFE) r   3333 cis-Dicyanotetra(methylisocyanide) iron(ii) (CNMCFE) (Geo)

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    #  Species Formula
  3323 Fe(II)(NH3)6H18N6Fe
  3324 Fe(II)(NH3)6 (Geo)H18N6Fe
  3325 Fe(III)(CN)6(3-) (JIHPAR) (Geo)C6N6Fe
  3326 Fe(III)(CN)6(3-)C6N6Fe
  3327 [Fe(II)(CN)6](4-) 1T1(g)C6N6Fe
  3328 [Fe(II)(CN)6](4-) 1T2(g)C6N6Fe
  3329 [Fe(II)(CN)6](4-)C6N6Fe
  3330 [Fe(II)(CN)6](4-) (Geo)C6N6Fe
  3331 Fe(II)(en)3C6H24N6Fe
  3332 Fe(II)(en)3 (Geo)C6H24N6Fe
  3333 cis-Dicyanotetra(methylisocyanide) iron(ii) (CNMCFE) (Geo) C10H12N6Fe
  3334 Ferrous tris(ortho phenantholine)C36H24N6Fe
  3335 Ferrous tris(ortho phenantholine) (Geo)C36H24N6Fe
  3336 FeO(+)OFe
  3337 FeOOFe
  3338 FeO (Geo)OFe
  3339 FeOHHOFe
  3340 FeOH (Geo)HOFe
  3341 FeC9 (BUDFEC01) (Geo)C9H12OFe
  3342 FeC9 (BUDFEC01)C9H12OFe
  3343 FeCO(1,3-C4H6)2C9H12OFe


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 MS=2 UHF PM7
cis-Dicyanotetra(methylisocyanide) iron(ii) (CNMCFE)
 <Fe-C(CN)> <Fe-C(CH3-NC)> <C-N(CH3-CN)> GR=CCDC
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.88451000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.98122400 +1   91.3076520 +1    0.0000000 +0     1     2     0
  N     1.16028980 +1  136.0018698 +1  178.5522799 +1     3     2     1
  C     1.89765647 +1   92.5370090 +1 -177.6815003 +1     1     2     3
  C     2.56783097 +1  137.1391349 +1  179.1208315 +1     5     2     1
  C     1.87976007 +1   87.3341889 +1 -179.6654073 +1     1     5     2
  C     2.45509331 +1  179.9966959 +1  122.2469350 +1     7     1     3
  C     1.87846364 +1   89.9580231 +1   92.7509189 +1     1     2     3
  N     1.16023820 +1  179.9974635 +1  -46.0942554 +1     5     1     2
  N     1.20356940 +1  156.0804912 +1   40.9483172 +1     7     1     9
  N     1.16274137 +1  134.1566791 +1  179.6850028 +1     9     2     1
  C     1.86617277 +1   93.7653691 +1 -179.9029102 +1     1     2     9
  N     1.20346957 +1  164.8584810 +1   39.6894946 +1    13     1     2
  N     1.16358118 +1  135.5048352 +1 -178.9939511 +1     2     3     1
  C     1.40899902 +1  179.4806966 +1  -88.0320946 +1     4     3    13
  C     1.43759367 +1  135.6862276 +1 -172.5023521 +1    14    13     1
  H     1.11239112 +1  110.5162527 +1   49.6949908 +1     6     5     7
  H     1.11346464 +1  111.2596731 +1  120.2886634 +1     6     5    18
  H     1.11285938 +1  110.8924164 +1  119.9583557 +1     6     5    19
  H     1.11012733 +1  126.2887438 +1   28.2561026 +1     8     7     1
  H     1.10265042 +1  106.4277216 +1 -125.9547152 +1     8     7    21
  H     1.10021603 +1   98.7879617 +1 -113.1308997 +1     8     7    22
  H     1.11262986 +1  111.0685695 +1 -128.8522245 +1    16     4    13
  H     1.11387211 +1  110.8104171 +1 -120.0925959 +1    16     4    24
  H     1.11287706 +1  110.8886273 +1 -119.6429862 +1    16     4    25
  H     1.10349417 +1  114.2166694 +1   19.3871481 +1    17    14    13
  H     1.10794378 +1  109.1713133 +1  120.6507671 +1    17    14    27
  H     1.10600097 +1  109.8694490 +1  117.8443940 +1    17    14    28