Accuracy

tl(iii)n6(3plus) (bowkih) r   7993 Tl(III)N6(3+) (BOWKIH) (Geo)

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    #  Species Formula
  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
  8002 TlOH.3(H2O)H7O4Tl
  8003 TlOH.3(H2O) (Geo)H7O4Tl


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=3 PULAY PM7
Tl(III)N6(3+) (BOWKIH)
 <Tl-N> <Tl-N><N-Tl-N> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.37629300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.22962100 +1   79.4643870 +1    0.0000000 +0     1     2     0
  H     1.02434847 +1  111.9244168 +1 -133.6354846 +1     2     1     3
  H     1.03053104 +1  110.4747444 +1  104.1201121 +1     3     1     2
  H     1.03031521 +1  111.7187157 +1  118.4257399 +1     3     1     5
  N     2.29294324 +1  168.6515409 +1   50.9840593 +1     1     2     3
  H     1.02841767 +1  110.1583527 +1  153.7447037 +1     7     1     2
  H     1.02787315 +1  111.9411536 +1  118.7122010 +1     7     1     8
  N     2.29910634 +1   93.0110600 +1   47.5212279 +1     1     2     7
  H     1.02788548 +1  110.4215669 +1  -65.5223290 +1    10     1     2
  H     1.02751330 +1  111.4818043 +1  118.6561070 +1    10     1    11
  N     2.30630834 +1   97.4259394 +1  169.1403949 +1     1     2    10
  H     1.02796107 +1  109.9712052 +1   17.0828065 +1    13     1     2
  H     1.02719661 +1  111.6107389 +1  118.6105808 +1    13     1    14
  N     2.32492570 +1   88.9984845 +1  -78.3406421 +1     1     2    13
  H     1.02691846 +1  110.0512906 +1 -155.9378070 +1    16     1     2
  H     1.02630312 +1  111.3375055 +1  118.6697136 +1    16     1    17
  C     1.49166323 +1  104.8414503 +1  120.6344550 +1     2     1     4
  H     1.13154732 +1  110.9793266 +1  161.6177086 +1    19     2     1
  H     1.11777834 +1  110.0876444 +1  114.9780923 +1    19     2    20
  C     1.49963326 +1  107.7963238 +1  121.1350728 +1     3     1     6
  H     1.11759301 +1  109.9670953 +1  -79.4712279 +1    22     3     1
  H     1.13149523 +1  110.2934794 +1 -114.7846923 +1    22     3    23
  C     1.49549187 +1  106.7392050 +1  121.1918663 +1     7     1     9
  H     1.13146944 +1  110.6791610 +1  163.7226594 +1    25     7     1
  H     1.11771583 +1  110.0681115 +1  114.8939226 +1    25     7    26
  C     1.53115619 +1  110.6144030 +1  123.8235201 +1    25     7    27
  H     1.13151741 +1  109.2956335 +1  178.4999552 +1    28    25     7
  H     1.11772756 +1  111.5995688 +1 -115.0336476 +1    28    25    29
  C     1.49437119 +1  107.0331347 +1  121.2318813 +1    13     1    15
  H     1.13132559 +1  110.7340629 +1  164.6839582 +1    31    13     1
  H     1.11735501 +1  110.0575342 +1  115.0251893 +1    31    13    32
  C     1.53122614 +1  110.4982153 +1  123.7545614 +1    31    13    33
  H     1.13131123 +1  109.3290077 +1  177.9223375 +1    34    31    13
  H     1.11753133 +1  111.5639677 +1 -115.0845050 +1    34    31    35
  H     1.02498155 +1  110.3384116 +1  119.7251548 +1     2     1    19