Accuracy

tl(i)s3(plus) (sityav) r   8023 Tl(I)S3(+) (SITYAV) (Geo)

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    #  Species Formula
  8013 Thallium(III)(EDTA)C10H12N2O8Tl
  8014 Thallium fluorideFTl
  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


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)S3(+) (SITYAV)
 <Tl-S> <><S-Tl-S> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     3.11458100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.69575404 +1   67.5659750 +1    0.0000000 +0     1     2     0
  C     1.83241378 +1  121.5306563 +1    0.1761697 +1     3     1     2
  C     1.82913266 +1   96.5061729 +1 -110.7778802 +1     3     1     4
  C     1.51326750 +1  115.9253535 +1   57.2374279 +1     5     3     1
  S     1.83272256 +1  114.8802319 +1  -50.6635079 +1     6     5     3
  C     1.83142111 +1  104.9736372 +1  124.3473331 +1     7     6     5
  C     1.51244563 +1  117.3654801 +1  -51.1215455 +1     8     7     6
  H     2.18820953 +1  101.7768651 +1   53.5145744 +1     4     3     1
  H     1.75914427 +1   65.5122237 +1 -152.3104352 +1    10     4     3
  H     1.10842512 +1  110.8245963 +1 -153.6038984 +1     4     3    10
  H     1.12002883 +1  106.7517394 +1 -113.1150433 +1     4     3    12
  H     1.11579330 +1  106.5570233 +1 -125.0413751 +1     5     3     6
  H     1.11722881 +1  109.0023285 +1 -110.8746284 +1     5     3    14
  H     1.10968198 +1  111.5197114 +1  126.5564560 +1     6     5     7
  H     1.12100118 +1  109.1281694 +1  114.1364627 +1     6     5    16
  H     1.11695295 +1  106.2436218 +1 -125.5157433 +1     8     7     9
  H     1.11844819 +1  107.7787893 +1 -110.6780157 +1     8     7    18
  H     1.10596020 +1  112.4071653 +1   66.1531859 +1     9     8     7
  H     1.11990813 +1  109.1747746 +1  115.0875032 +1     9     8    20
  C     1.11570620 +1   38.0451412 +1   37.7517996 +1    11    10     4