Accuracy

Cu(II)N4(2plus) (ABUCUP) r   3618 Cu(II)N4(2+) (ABUCUP) (Geo)

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    #  Species Formula
  3608 Ni2(Cp)2(CO)2 (Geo)C12H10O2Ni2
  3609 Ni3(Cp)3(CO)3 (Geo)C17H15O2Ni3
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF CHARGE=2 PULAY PM7
Cu(II)N4(2+) (ABUCUP)
 <Cu-N><><N-Cu-N> GR=CCDC
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.01604500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.01434352 +1   93.2699830 +1    0.0000000 +0     1     2     0
  C     2.43785656 +1    1.0020750 +1   -1.0638038 +1     0     0     0
  C     1.92138043 +1    2.4053551 +1   -0.7590655 +1     0     0     0
  C     0.43847930 +1    2.6505636 +1   -1.0751158 +1     0     0     0
  C     0.12841239 +1    4.1386207 +1   -1.1459443 +1     0     0     0
  N    -1.16333202 +1   -0.7047112 +1   -1.4825112 +1     0     0     0
  N    -0.41485254 +1   -1.2064176 +1    1.5413041 +1     0     0     0
  C    -2.52854287 +1   -1.0176700 +1   -0.8898917 +1     0     0     0
  C    -1.93990778 +1   -1.3968735 +1    1.6005568 +1     0     0     0
  C    -2.42273931 +1   -1.9991428 +1    0.2727135 +1     0     0     0
  C    -2.32509820 +1   -2.2852746 +1    2.7743350 +1     0     0     0
  H     3.55784733 +1    1.0446412 +1   -1.1456831 +1     0     0     0
  H     2.11015970 +1    0.6428160 +1   -2.0683271 +1     0     0     0
  H     2.52507885 +1    3.1280510 +1   -1.3760531 +1     0     0     0
  H     2.17881533 +1    2.7237196 +1    0.2757530 +1     0     0     0
  H     0.16481634 +1    2.1866446 +1   -2.0637919 +1     0     0     0
  H     0.67144643 +1    4.6341613 +1   -1.9729141 +1     0     0     0
  H     0.40702078 +1    4.6996429 +1   -0.2412462 +1     0     0     0
  H    -0.93215620 +1    4.3562794 +1   -1.3447436 +1     0     0     0
  H     2.49834711 +1    0.2827945 +1    0.8860966 +1     0     0     0
  H     2.51005793 +1   -0.8970109 +1   -0.2205906 +1     0     0     0
  H    -0.23730464 +1    2.4813212 +1    0.8972771 +1     0     0     0
  H    -1.41135865 +1    2.2577821 +1   -0.1844464 +1     0     0     0
  H    -1.33448204 +1   -0.0956220 +1   -2.3179749 +1     0     0     0
  H    -0.83128361 +1   -1.5863538 +1   -1.9443121 +1     0     0     0
  H    -0.12185965 +1   -0.8882232 +1    2.4976763 +1     0     0     0
  H     0.00305034 +1   -2.1688613 +1    1.5235178 +1     0     0     0
  H    -3.03467213 +1   -0.0696486 +1   -0.5905636 +1     0     0     0
  H    -3.21042746 +1   -1.4542485 +1   -1.6686520 +1     0     0     0
  H    -2.39553719 +1   -0.3799244 +1    1.7636847 +1     0     0     0
  H    -1.84400838 +1   -2.9082567 +1   -0.0031453 +1     0     0     0
  H    -3.44998004 +1   -2.4274093 +1    0.4438540 +1     0     0     0
  H    -1.99296780 +1   -1.8943513 +1    3.7484848 +1     0     0     0
  H    -3.42330223 +1   -2.3777052 +1    2.8772582 +1     0     0     0
  H    -1.95451398 +1   -3.3182155 +1    2.6984298 +1     0     0     0