Accuracy

Nb(IV)Cl4N2 (CYANBA) r   4764 Nb(IV)Cl4N2 (CYANBA) (Geo)

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    #  Species Formula
  4754 Nb(Cp)2S2Cl (BAPKUY)C10H10S2ClNb
  4755 Nb(Cp)Cl2N (JIYMAF10) (Geo)C6H8NCl2Nb
  4756 Nb(Cp)Cl2N (JIYMAF10)C6H8NCl2Nb
  4757 Niobium trichloride (Geo)Cl3Nb
  4758 Niobium(III) trichlorideCl3Nb
  4759 Niobium(V) oxide trichloride (Geo)OCl3Nb
  4760 Niobium(V) oxide trichlorideOCl3Nb
  4761 Nb(V)Cl3N2O (ACYNNB10) (Geo)C4H6N2OCl3Nb
  4762 Nb(V)Cl3N2O (ACYNNB10)C4H6N2OCl3Nb
  4763 niobium(V) tetrachloride, cationCl4Nb
  4764 Nb(IV)Cl4N2 (CYANBA) (Geo) C4H6N2Cl4Nb
  4765 Nb(IV)Cl4N2 (CYANBA)C4H6N2Cl4Nb
  4766 Nb(V)Cl4O2 (WIGKIG) (Geo)C12H17O2Cl4Nb
  4767 Nb(V)Cl4O2 (WIGKIG)C12H17O2Cl4Nb
  4768 Nb(IV)Cl4P2 (CUHVIK) (Geo)C12H30P2Cl4Nb
  4769 Niobium pentachloride (Geo)Cl5Nb
  4770 Niobium(V) pentachlorideCl5Nb
  4771 Nb(V)Cl5N (CFNTNB) (Geo)HCNCl5Nb
  4772 Nb(V)Cl5N (CFNTNB)HCNCl5Nb
  4773 Nb(V)Cl6(-) (SIWLAL) (Geo)Cl6Nb
  4774 Niobium(V) hexachloride, anionCl6Nb


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
Nb(IV)Cl4N2 (CYANBA)
 <Nb-Cl> <Nb-Cl><Cl-Nb-Cl> <><><> <Nb-N> GR=CCDC
 Nb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.34419900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.32736400 +1  160.9975640 +1    0.0000000 +0     1     2     0
 Cl     2.35272784 +1   85.4293177 +1 -121.9401521 +1     1     2     3
  N     2.22014300 +1   85.1462281 +1   82.8884168 +1     1     2     4
  C     1.16271857 +1  121.6999054 +1  153.7916352 +1     5     2     1
  C     1.43300140 +1  179.5316363 +1  110.5759635 +1     6     5     3
  H     1.10761067 +1  112.5317175 +1  128.1078340 +1     7     6     2
  H     1.11095099 +1  111.5999026 +1 -120.5356442 +1     7     6     8
  H     1.11191837 +1  111.4823473 +1 -119.0707305 +1     7     6     9
 Cl     2.32080021 +1  102.9384134 +1 -176.2586977 +1     1     2     5
  N     2.06753552 +1   77.7257625 +1  -87.4063143 +1     1     2    11
  C     1.16844594 +1  128.6664725 +1 -176.8701812 +1    12     2     1
  C     1.43068869 +1  179.7025768 +1 -110.2596141 +1    13    12     3
  H     1.10941858 +1  112.1566251 +1 -127.3835484 +1    14    13     2
  H     1.11069562 +1  111.6905822 +1  120.0015992 +1    14    13    15
  H     1.11090515 +1  111.9359010 +1  119.6932221 +1    14    13    16