Accuracy

tl(iii)o3s3 (jivqek) r   8025 Tl(III)O3S3 (JIVQEK) (Geo)

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    #  Species Formula
  8015 Thallium fluoride (TlF) (Geo)FTl
  8016 [Tl(III)F(H2O)5](2+)H10O5FTl
  8017 [Tl(III)F(H2O)5](2+) (Geo)H10O5FTl
  8018 trans-Tl(III)F2(H2O)4(+)H8O4F2Tl
  8019 trans-Tl(III)F2(H2O)4(+) (Geo)H8O4F2Tl
  8020 Tl(I)O6F3 (EMAPAJ) (Geo)C12H24O6F6PTl
  8021 Tl(I)S2 (MDTCTL) (Geo)C3H6NS2Tl
  8022 Tl(I)S2 (MDTCTL)C3H6NS2Tl
  8023 Tl(I)S3(+) (SITYAV) (Geo)C6H12S3Tl
  8024 Tl(I)S3(+) (SITYAV)C6H12S3Tl
  8025 Tl(III)O3S3 (JIVQEK) (Geo) C15H12N3O3S3Tl
  8026 Tl(III)O3S3 (JIVQEK)C15H12N3O3S3Tl
  8027 Tl(III)S4(-) (TUBMIM) (Geo)C12H8S4Tl
  8028 Tl(III)S4(-) (TUBMIM)C12H8S4Tl
  8029 Tl(III)S6 (MSCTHL) (Geo)C9H18N3S6Tl
  8030 Tl(III)S6 (MSCTHL)C9H18N3S6Tl
  8031 Thallium chloride, cationClTl
  8032 Thallium chlorideClTl
  8033 Thallium chloride (Geo)ClTl
  8034 [Tl(III)Cl(H2O)5](2+)H10O5ClTl
  8035 [Tl(III)Cl(H2O)5](2+) (Geo)H10O5ClTl


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 KING PM7
Tl(III)O3S3 (JIVQEK)
 <Tl-S> <Tl-O><O-Tl-S> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.52513000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.39357400 +1   73.0018730 +1    0.0000000 +0     1     2     0
  O    -1.99134302 +1    1.4276125 +1    0.5647196 +1     0     0     0
  O     0.11873193 +1    0.9381872 +1    2.3140494 +1     0     0     0
  S    -1.38259602 +1    0.1976288 +1   -2.0817198 +1     0     0     0
  N     1.72358588 +1    2.4830085 +1    0.7400530 +1     0     0     0
  N    -0.88501144 +1    0.6168063 +1    3.0233399 +1     0     0     0
  N    -3.02970981 +1    1.1430686 +1   -0.1055426 +1     0     0     0
  C     2.67665771 +1    1.5011041 +1    0.8880356 +1     0     0     0
  C     3.76493360 +1    1.7360165 +1    1.7346751 +1     0     0     0
  H     4.51165929 +1    0.9520046 +1    1.8866119 +1     0     0     0
  C     3.89724927 +1    2.9573141 +1    2.3855534 +1     0     0     0
  H     4.74995571 +1    3.1444235 +1    3.0352600 +1     0     0     0
  C     2.92186119 +1    3.9383618 +1    2.2052037 +1     0     0     0
  H     3.00697988 +1    4.9038789 +1    2.7035572 +1     0     0     0
  C     1.82539919 +1    3.6833652 +1    1.3905417 +1     0     0     0
  H     1.01467167 +1    4.4027122 +1    1.2337471 +1     0     0     0
  C    -1.53925469 +1   -0.5768820 +1    2.8115714 +1     0     0     0
  C    -2.65255715 +1   -0.8866100 +1    3.5989538 +1     0     0     0
  H    -3.18848853 +1   -1.8249690 +1    3.4321863 +1     0     0     0
  C    -3.08123910 +1   -0.0110549 +1    4.5906960 +1     0     0     0
  H    -3.93972266 +1   -0.2611374 +1    5.2101174 +1     0     0     0
  C    -2.40034261 +1    1.1902972 +1    4.7810615 +1     0     0     0
  H    -2.71706725 +1    1.8944672 +1    5.5496569 +1     0     0     0
  C    -1.30693438 +1    1.5004731 +1    3.9806264 +1     0     0     0
  H    -0.74821229 +1    2.4361899 +1    4.0731436 +1     0     0     0
  C    -2.93542652 +1    0.5244721 +1   -1.3330633 +1     0     0     0
  C    -4.10995560 +1    0.1874688 +1   -2.0124646 +1     0     0     0
  H    -4.05043985 +1   -0.3205090 +1   -2.9796240 +1     0     0     0
  C    -5.35463855 +1    0.4905833 +1   -1.4701000 +1     0     0     0
  H    -6.26562430 +1    0.2329425 +1   -2.0056834 +1     0     0     0
  C    -5.42038708 +1    1.1257812 +1   -0.2315566 +1     0     0     0
  H    -6.38208505 +1    1.3770526 +1    0.2154732 +1     0     0     0
  C    -4.24862153 +1    1.4398229 +1    0.4470495 +1     0     0     0
  H    -4.24367897 +1    1.9319767 +1    1.4237383 +1     0     0     0
  S    -0.97664068 +1   -1.7017059 +1    1.5936748 +1     0     0     0