Accuracy

V(V)O4N2(-) (BALLIJ) r   3040 V(V)O4N2(-) (BALLIJ) (Geo)

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    #  Species Formula
  3030 VC11O (BEYRIG) (Geo)C11H12OV
  3031 VC11O (BEYRIG)C11H12OV
  3032 V(IV)ON4 (CAKMAC10) (Geo)C32H34N4OV
  3033 Vanadium(IV) oxide (Geo)O2V
  3034 VC12(+) (CCPZRB) (Geo)C12H10O2V
  3035 VC12(+) (CCPZRB)C12H10O2V
  3036 Methyl vanadium(V) oxide dihydroxide (Geo)CH5O3V
  3037 Vanadium(V) tri-ethoxide oxideC6H15O4V
  3038 VC10(+) (BOBHIJ) (Geo)C14H14O4V
  3039 VC10(+) (BOBHIJ)C14H14O4V
  3040 V(V)O4N2(-) (BALLIJ) (Geo) C18H12N2O4V
  3041 V(V)O4N2(-) (BALLIJ)C18H12N2O4V
  3042 V(IV)O5 (ACACVO) (Geo)C10H14O5V
  3043 Vanadium(V) diacetylacetonate oxideC10H14O5V
  3044 V(IV)O6(2-) (BOBWOE) (Geo)C12H8O5V
  3045 V(IV)O6(2-) (BOBWOE)C12H8O5V
  3046 V(IV)O5N (CUCWUS) (Geo)C15H19NO5V
  3047 V(IV)O3N3 (CAGSAE) (Geo)C14H13N3O5V
  3048 V(IV)O3N3 (CAGSAE)C14H13N3O5V
  3049 VO(H2O)5 (Geo)H10O6V
  3050 V(III)O6(3+) (COLNUM) (Geo)H12O6V


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=-1 PULAY PM7
V(V)O4N2(-) (BALLIJ)
 <V=O> <V-O><O=V-O> <V-N><O=V-N> GR=CCDC
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.64203700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.96910500 +1   95.7205730 +1    0.0000000 +0     1     2     0
  N     2.30690800 +1  162.9626320 +1  -62.1574036 +1     1     2     3
  C     1.32504483 +1  133.1299849 +1 -117.3802804 +1     4     1     2
  C     1.42723060 +1  121.7687072 +1 -162.4333094 +1     5     4     1
  C     1.37156408 +1  119.7515463 +1   -0.4378697 +1     6     5     4
  C     2.50965934 +1  147.4354003 +1    0.5719250 +1     7     6     5
  C     1.38339526 +1  147.7989947 +1    1.2431256 +1     8     7     6
  C     1.39763726 +1  122.5914157 +1   -0.4241085 +1     9     8     7
  C     1.40159395 +1  119.8090368 +1    0.0987216 +1    10     9     8
  C     1.41344530 +1   27.9640701 +1   -1.0764794 +1     8     7     9
  C     1.37180482 +1  106.1643549 +1 -163.4961082 +1     4     1     5
  O     1.58847640 +1  112.5220695 +1  169.0744743 +1     1     2     4
  O     2.15062918 +1  102.7038207 +1  103.8719729 +1     1     2    14
  N     2.36011603 +1   85.6287056 +1   71.4849170 +1     1     2    15
  C     1.26005355 +1  118.6841830 +1   64.3440599 +1    15     1     2
  C     1.32679821 +1  129.8080205 +1   73.3131408 +1    16     1     2
  C     1.36777144 +1  109.1188063 +1 -162.9214821 +1    16     1    18
  C     1.41012220 +1  123.4638534 +1 -165.7066957 +1    17    15     1
  C     1.42525719 +1  121.9005845 +1 -162.3249637 +1    18    16     1
  C     1.41411666 +1  123.0855390 +1  166.5182654 +1    19    16     1
  C     1.39194281 +1  120.2685737 +1 -179.2540156 +1    20    17    15
  C     1.37174501 +1  119.5693932 +1   -0.2077328 +1    21    18    16
  C     1.38618296 +1  122.5658260 +1    0.2155190 +1    23    20    17
  H     1.10014616 +1  117.2226723 +1  179.8857124 +1     5     4     6
  H     1.08444845 +1  118.6917060 +1 -179.7832288 +1     6     5     7
  H     1.08512477 +1  121.4998430 +1  179.9344146 +1     7     6     8
  H     1.07971732 +1   91.3673240 +1 -179.6451136 +1     8     7    12
  H     1.09030921 +1  119.0978638 +1  179.7724218 +1     9     8    10
  H     1.08125367 +1  121.2907854 +1  178.8452953 +1    10     9    11
  H     1.09831930 +1  117.3216745 +1  179.6732974 +1    18    16    21
  H     1.08046853 +1  118.2821011 +1 -178.8969807 +1    20    17    23
  H     1.08400646 +1  118.8158631 +1 -179.9595485 +1    21    18    24
  H     1.09047643 +1  118.5240107 +1 -179.8322593 +1    23    20    25
  H     1.08493907 +1  121.4999054 +1 -179.6563907 +1    24    21    18
  H     1.07877221 +1  120.7831838 +1 -179.6892574 +1    25    23    20