Accuracy

tl(iii)s6 (mscthl) r   8029 Tl(III)S6 (MSCTHL) (Geo)

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    #  Species Formula
  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
  8036 trans-Tl(III)Cl2(H2O)4(+)H8O4Cl2Tl
  8037 trans-Tl(III)Cl2(H2O)4(+) (Geo)H8O4Cl2Tl
  8038 Tl(III)Cl4(-) (ENCOTL) (Geo)Cl4Tl
  8039 Tl(III)Cl4(-) (ENCOTL)Cl4Tl


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)S6 (MSCTHL)
 <Tl-S> <><S-Tl-S> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.61250500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.65657827 +1   67.7741750 +1    0.0000000 +0     1     2     0
  C     5.31641240 +1  141.3687981 +1  -78.7603877 +1     1     2     3
  C     3.06142988 +1  101.5440711 +1 -153.5640924 +1     1     2     4
  C     3.02774718 +1  142.5766132 +1    1.3582957 +1     2     1     3
  C     2.44460274 +1  149.3272322 +1   85.0333456 +1     5     1     2
  C     2.49320018 +1   94.2939461 +1   -2.0701545 +1     6     2     1
  C     2.44470205 +1  149.3650061 +1 -179.6650608 +1     5     1     7
  N     1.46588346 +1   62.5260380 +1    0.6401072 +1     6     2     8
  N     1.46678423 +1   44.5942774 +1  -29.2259413 +1     4     1     2
  N     1.32983750 +1  179.8358859 +1   95.6184501 +1     5     1     9
  S     2.62274017 +1   96.5321468 +1  132.3844165 +1     1     2     5
  S     2.62059664 +1  156.9737457 +1   49.8375699 +1     1     2    13
  S     1.74308304 +1   58.6479444 +1   85.5896907 +1     5     1     2
  S     1.74298286 +1   58.7091252 +1  179.8189133 +1     5     1    15
  H     2.13208084 +1  127.4082385 +1 -148.2790515 +1    11     4     1
  H     1.79492156 +1   65.1275930 +1 -110.2807405 +1    17    11     4
  H     1.78247419 +1   59.7995087 +1   74.8551331 +1    18    17    11
  H     1.10153216 +1  155.6956277 +1  -14.1301707 +1     4     1    11
  H     1.10960156 +1   82.7117861 +1 -159.4404801 +1     4     1     2
  H     1.10873875 +1   89.2323798 +1 -108.3065535 +1     4     1    21
  H     1.11010684 +1   70.4729506 +1  127.9725581 +1     6     2    10
  H     1.10840725 +1   81.0329488 +1  112.7784080 +1     6     2    23
  H     1.10153571 +1  170.8778238 +1  172.4613955 +1     6     2    24
  H     1.10906680 +1   96.2091019 +1   55.5727417 +1     7     5     1
  H     1.10144281 +1  139.1991971 +1  126.2055188 +1     7     5    26
  H     1.10941873 +1   95.5010291 +1  124.9344561 +1     7     5    27
  H     1.10915592 +1  122.7024993 +1   77.6044587 +1     8     6     2
  H     1.10932651 +1  123.9947656 +1 -151.0161900 +1     8     6    29
  H     1.10138993 +1   79.8743003 +1 -104.3464241 +1     8     6    30
  H     1.10144891 +1  139.1909069 +1  179.4223726 +1     9     5     1
  H     1.10925842 +1   95.7969078 +1 -125.4455629 +1     9     5    32
  H     1.10926288 +1   95.9236395 +1 -108.8766158 +1     9     5    33
  C     1.33029099 +1  121.7933243 +1    0.1726378 +1    10     6     2
  C     1.32984861 +1  121.8743640 +1  149.1050232 +1    11     4    17
  C     1.10926223 +1   39.9885155 +1   33.3655516 +1    17    11    18