Accuracy

tl(i)n3(plus) (ducdio) r   7991 Tl(I)N3(+) (DUCDIO) (Geo)

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    #  Species Formula
  7981 Thallium (+++)Tl
  7982 Thallium, dicationTl
  7983 Thallium, cationTl
  7984 Thallium, atomTl
  7985 Tl(III)C2(+) (DMTLAZ) (Geo)C2H6Tl
  7986 Tl(III)C2(+) (DMTLAZ)C2H6Tl
  7987 Tl(III)C3 (TMETTL) (Geo)C3H9Tl
  7988 Tl(III)C3 (TMETTL)C3H9Tl
  7989 Cyclopentadienyl thallium (Geo)C5H5Tl
  7990 Thallium cyclopentadienylC5H5Tl
  7991 Tl(I)N3(+) (DUCDIO) (Geo) C9H21N3Tl
  7992 Tl(I)N3(+) (DUCDIO)C9H21N3Tl
  7993 Tl(III)N6(3+) (BOWKIH) (Geo)C6H24N6Tl
  7994 Tl(III)N6(3+) (BOWKIH)C6H24N6Tl
  7995 Tl(III)N4C2(+) (LUWWIJ) (Geo)C8H18N6Tl
  7996 Tl(III)N4C2(+) (LUWWIJ)C8H18N6Tl
  7997 TlBO2 (Geo)BO2Tl
  7998 Tl(III)C2O2 (MTLACA) (Geo)C7H13O2Tl
  7999 Tl(III)C2O2 (MTLACA)C7H13O2Tl
  8000 Thallium tris-8-quinolinol (Geo)C27H18N3O3Tl
  8001 Thallium tris-8-quinolinolC27H18N3O3Tl


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 PM7
Tl(I)N3(+) (DUCDIO)
 <Tl-N> <><N-Tl-N> <Tl-N> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.59864600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.41508111 +1   67.3529650 +1    0.0000000 +0     1     2     0
  N     2.63462100 +1   69.3977146 +1  -78.5633914 +1     1     2     3
  C     1.47980143 +1  115.4813732 +1  -10.7476581 +1     2     1     3
  C     1.54009484 +1  107.9335838 +1  -15.7195337 +1     5     2     1
  C     1.49658066 +1  113.5303901 +1  -88.7004977 +1     3     1     2
  C     1.54507862 +1  113.2709637 +1  -11.9885581 +1     7     3     1
  C     1.48486792 +1  112.6737971 +1   -9.2283146 +1     4     1     2
  C     1.54737101 +1  111.3526151 +1  -17.5228629 +1     9     4     1
  C     1.48909146 +1  106.5439149 +1 -122.0816033 +1     2     1     5
  C     1.49444482 +1  105.2086872 +1 -118.7744639 +1     3     1     7
  C     1.48203672 +1  111.9653553 +1 -125.9321402 +1     4     1     9
  H     1.11655858 +1  112.6454629 +1 -120.5312106 +1     5     2     6
  H     1.11164672 +1  111.7395552 +1 -117.4782232 +1     5     2    14
  H     1.11491958 +1  109.5233141 +1  173.5635681 +1     6     5     2
  H     1.11487239 +1  109.7867578 +1  116.1628939 +1     6     5    16
  H     1.11320635 +1  110.6250216 +1  122.9911468 +1     7     3     8
  H     1.11745158 +1  111.1032021 +1  115.4233244 +1     7     3    18
  H     1.11724487 +1  108.0370431 +1  177.9746330 +1     8     7     3
  H     1.11455680 +1  109.9730899 +1  114.8161185 +1     8     7    20
  H     1.11781974 +1  111.4520182 +1 -120.2475340 +1     9     4    10
  H     1.11110608 +1  111.6137918 +1 -116.5731298 +1     9     4    22
  H     1.11583199 +1  108.1874231 +1 -179.6203302 +1    10     9     4
  H     1.11532434 +1  108.9017089 +1  114.9067762 +1    10     9    24
  H     1.10280778 +1  110.5677041 +1  -51.8832512 +1    11     2     1
  H     1.10424642 +1  113.5432649 +1 -120.6420032 +1    11     2    26
  H     1.10312816 +1  109.8081993 +1 -120.7323134 +1    11     2    27
  H     1.10311391 +1  110.8780304 +1  -56.6159833 +1    12     3     1
  H     1.10503752 +1  113.1335135 +1 -120.0629894 +1    12     3    29
  H     1.10317161 +1  110.4471222 +1 -120.3033338 +1    12     3    30
  H     1.10321431 +1  110.3440229 +1  -50.0588080 +1    13     4     1
  H     1.10392172 +1  113.7670041 +1 -121.0971473 +1    13     4    32
  H     1.10431818 +1  109.4996486 +1 -120.9565501 +1    13     4    33