Accuracy

tl(iii)n4c2(plus) (luwwij) r   7995 Tl(III)N4C2(+) (LUWWIJ) (Geo)

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    #  Species Formula
  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
  8002 TlOH.3(H2O)H7O4Tl
  8003 TlOH.3(H2O) (Geo)H7O4Tl
  8004 Tl(I)(H2O)4H8O4Tl
  8005 Tl(I)(H2O)4 (Geo)H8O4Tl


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
Tl(III)N4C2(+) (LUWWIJ)
 <Tl-N> <><N-Tl-N> <Tl-C> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.33377800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.26092291 +1   74.4328210 +1    0.0000000 +0     1     2     0
  C     2.28324900 +1   93.1320659 +1  113.3593661 +1     1     2     3
  N     2.28597206 +1  153.5741568 +1 -108.7174551 +1     1     2     4
  C     1.48658789 +1  112.3728735 +1    5.2597208 +1     2     1     3
  H     1.11555288 +1  109.9528582 +1  -98.0397390 +1     6     2     1
  H     1.11685012 +1  111.6187239 +1 -117.2148183 +1     6     2     7
  C     1.48838167 +1  107.8400865 +1   -1.6412383 +1     5     1     2
  H     1.11742430 +1  111.8780524 +1 -154.4909606 +1     9     5     1
  H     1.11694871 +1  109.2125165 +1 -116.2338957 +1     9     5    10
  C     1.54300745 +1  110.9295169 +1 -121.6859657 +1     9     5    11
  H     1.11548998 +1  109.7971935 +1 -178.3003917 +1    12     9     5
  H     1.11582956 +1  110.9142387 +1  116.7093403 +1    12     9    13
  N     3.26350626 +1   91.7341882 +1 -117.7415204 +1     1     2     5
  H     3.45428266 +1  110.6242043 +1 -149.9053512 +1     5     1     9
  H     1.78210976 +1   52.0472513 +1 -110.5254493 +1    16     5     1
  C     1.11369752 +1   36.9858502 +1   32.1319875 +1    17    16     5
  H     2.14769912 +1   92.9713536 +1  -59.7355523 +1     3     1     2
  H     1.78186511 +1   66.0256153 +1  155.6161670 +1    19     3     1
  C     1.11594468 +1   40.3324951 +1  -34.2273808 +1    19     3    20
  H     2.16109028 +1  136.4408616 +1   44.2055029 +1     5     1    16
  H     1.78040266 +1   65.2189653 +1   -2.3348765 +1    22     5     1
  C     1.11270947 +1   36.9526822 +1  -38.3860902 +1    23    22     5
  N     1.14672951 +1  179.5388086 +1  -54.0407464 +1     4     1     2
  H     2.08044320 +1   86.8463018 +1  108.1567811 +1    18    17    16
  H     1.64716876 +1   66.6264522 +1 -179.9494038 +1    26    18    17
  H     1.03343966 +1  110.1460621 +1  146.0332936 +1     3     1    19
  H     1.03680497 +1  104.8744517 +1 -136.6414854 +1     5     1    22
  H     1.02386770 +1  108.5019918 +1 -123.3569808 +1     2     1     6
  H     1.02502518 +1  106.0838600 +1 -115.2755751 +1     2     1    30
  C     1.15061317 +1   34.1807198 +1   -1.3790319 +1    15     2     1
  N     1.01045450 +1   40.8171017 +1  -31.0369394 +1    26    18    27