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cu(ii)(en)3r   3620 Cu(II)(en)3 (Geo)

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    #  Species Formula
  3610 Copper (+)Cu
  3611 Copper, atomCu
  3612 Copper HydrideHCu
  3613 Cu-CH3 (Geo)CH3Cu
  3614 Cu(+) - NH3 (Geo)H3NCu
  3615 Cu(+) - CH2NH (Geo)CH3NCu
  3616 Cu(+) - CH3NH2 (Geo)CH5NCu
  3617 Cu(II)(NH3)4 (Geo)H12N4Cu
  3618 Cu(II)N4(2+) (ABUCUP) (Geo)C8H24N4Cu
  3619 Cu(II)(NH3)6 (Geo)H18N6Cu
  3620 Cu(II)(en)3 (Geo) C6H24N6Cu
  3621 Copper phthalocyanine (Geo)C32H16N8Cu
  3622 Cu-O (Geo)OCu
  3623 Cu(+) - H2O (Geo)H2OCu
  3624 Cu(+) - CH2O (Geo)CH2OCu
  3625 Cu(+) - CH3OH (Geo)CH4OCu
  3626 Copper (OH)2(H2O) (Geo)H4O3Cu
  3627 Cu(I)(H2O)4 (Geo)H8O4Cu
  3628 Cu(Acac)2C10H14O4Cu
  3629 Cu(II)O4 (ACACCU) (Geo)C10H14O4Cu
  3630 Cu(II)O4 (ACACCU)C10H14O4Cu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 SYMMETRY UHF CHARGE=2 RELSCF=10 PM7
Cu(II)(en)3
 <Cu-N> <Cu-N'> GR=CCDC GWT=0.5
 
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.05600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.30000000 +1   84.6705408 +1    0.0000000 +0     1     2     0
  N     2.05600000 +0   93.1057068 +1   97.9006869 +1     1     2     3
  N     2.30000000 +0  173.6841037 +1   29.2854336 +1     1     2     3
  N     2.30000000 +0   90.5128724 +1 -171.5008611 +1     1     2     3
  N     2.30000000 +0   95.4804926 +1  -90.0784534 +1     1     2     3
  C     1.49869625 +1  103.0527057 +1   14.5999423 +1     3     1     2
  C     1.49869625 +0  103.0527057 +0   16.9238213 +1     2     1     3
  C     1.49869625 +0  103.0527057 +0  -75.6866684 +1     5     1     6
  C     1.49869625 +0  103.0527057 +0 -156.8917079 +1     4     1     2
  C     1.49869625 +0  103.0527057 +0  -73.6360598 +1     7     1     2
  C     1.49869625 +0  103.0527057 +0  111.2354294 +1     6     1     2
  H     1.11257043 +1  109.1464298 +1   76.3269029 +1     8     3     1
  H     1.11257043 +0  109.1464298 +0   76.3269029 +0     9     2     1
  H     1.11257043 +0  109.1464298 +0   76.3269029 +0    10     5     1
  H     1.11257043 +0  109.1464298 +0   76.3269029 +0    11     4     1
  H     1.11257043 +0  109.1464298 +0   76.3269029 +0    12     7     1
  H     1.11257043 +0  109.1464298 +0   76.3269029 +0    13     6     1
  H     1.11779339 +1  112.2835933 +1 -167.3355061 +1    13     6     1
  H     1.11779339 +0  112.2835933 +0 -167.3355061 +0     8     3     1
  H     1.11779339 +0  112.2835933 +0 -167.3355061 +0    12     7     1
  H     1.11779339 +0  112.2835933 +0 -167.3355061 +0     9     2     1
  H     1.11779339 +0  112.2835933 +0 -167.3355061 +0    10     5     1
  H     1.11779339 +0  112.2835933 +0 -167.3355061 +0    11     4     1
  H     1.02326672 +1  116.0999337 +1  135.8450764 +1     2     1     3
  H     1.02326672 +0  116.0999337 +0  134.8407504 +1     3     1     2
  H     1.02326672 +0  116.0999337 +0   44.4271937 +1     5     1     6
  H     1.02326672 +0  116.0999337 +0  -38.0497938 +1     4     1     2
  H     1.02326672 +0  116.0999337 +0 -129.4346677 +1     6     1     2
  H     1.02326672 +0  116.0999337 +0   45.9805515 +1     7     1     2
  H     1.02349420 +1  113.5923878 +1 -101.7205504 +1     2     1     3
  H     1.02349420 +0  113.5923878 +0  168.0177971 +1     7     1     2
  H     1.02349420 +0  113.5923878 +0 -103.6906843 +1     3     1     2
  H     1.02349420 +0  113.5923878 +0   84.5545146 +1     4     1     2
  H     1.02349420 +0  113.5923878 +0  165.9764580 +1     5     1     6
  H     1.02349420 +0  113.5923878 +0   -7.1469549 +1     6     1     2
 
   2  1    4
   3  1    5    6    7
   8  1    9   10   11   12   13
   8  2    9   10   11   12   13
  14  1   15   16   17   18   19
  14  2   15   16   17   18   19
  14  3   15   16   17   18   19
  20  1   21   22   23   24   25
  20  2   21   22   23   24   25
  20  3   21   22   23   24   25
  26  1   27   28   29   30   31
  26  2   27   28   29   30   31
  32  1   33   34   35   36   37
  32  2   33   34   35   36   37