Accuracy

tl(iii)n2br3 (cejmot) r   8051 Tl(III)N2Br3 (CEJMOT) (Geo)

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    #  Species Formula
  8041 Tl(III)Cl5(2-) (DAKWUI)Cl5Tl
  8042 Thallium bromide, cationBrTl
  8043 Thallium bromideBrTl
  8044 Thallium bromide (Geo)BrTl
  8045 [Tl(III)Br(H2O)5](2+)H10O5BrTl
  8046 [Tl(III)Br(H2O)5](2+) (Geo)H10O5BrTl
  8047 Tl(III)S4Br(2-) (BIHHUV) (Geo)C8N4S4BrTl
  8048 Tl(III)S4Br(2-) (BIHHUV)C8N4S4BrTl
  8049 trans-Tl(III)Br2(H2O)4(+)H8O4Br2Tl
  8050 trans-Tl(III)Br2(H2O)4(+) (Geo)H8O4Br2Tl
  8051 Tl(III)N2Br3 (CEJMOT) (Geo) C10H10N2Br3Tl
  8052 Tl(III)N2Br3 (CEJMOT)C10H10N2Br3Tl
  8053 Tl(III)Br4(-) (CAFSUX) (Geo)Br4Tl
  8054 Tl(III)Br4(-) (CAFSUX)Br4Tl
  8055 Tl(III)Br5(2-) (BAQWUL) (Geo)Br5Tl
  8056 Tl(III)Br5(2-) (BAQWUL)Br5Tl
  8057 Tl(III)Br6(3-) (FEQXII) (Geo)Br6Tl
  8058 Tl(III)Br6(3-) (FEQXII)Br6Tl
  8059 Thallium iodideITl
  8060 Thallium iodide (Geo)ITl
  8061 [Tl(III)I(H2O)5](2+)H10O5ITl


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 RELSCF=10 PM7
Tl(III)N2Br3 (CEJMOT)
 <Tl-Br> <><> <><><> <Tl-N> GR=CCDC
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.55652400 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.57791435 +1  119.1228592 +1    0.0000000 +0     1     2     0
 Br     2.57438877 +1  117.3400794 +1  171.8270173 +1     1     2     3
  N     2.43842500 +1   96.8379021 +1  -87.7127246 +1     1     2     4
  N     2.20612838 +1  100.8301959 +1 -177.7288942 +1     1     2     5
  C     1.34757304 +1  118.6906905 +1  173.6765071 +1     5     1     2
  C     1.34666865 +1  121.5779877 +1  177.8480929 +1     5     1     7
  C     1.40025867 +1  121.6591091 +1 -177.9965048 +1     8     5     1
  C     1.39993146 +1  121.6341791 +1  178.0999924 +1     7     5     1
  C     1.39312705 +1  118.9250555 +1   -0.1290049 +1    10     7     5
  C     1.35089238 +1  118.1590540 +1 -177.6307660 +1     6     1     2
  C     1.34899589 +1  121.8613190 +1 -179.6291797 +1     6     1    12
  C     1.39859354 +1  121.2925653 +1 -179.7249837 +1    12     6     1
  C     1.39901391 +1  121.3268919 +1  179.6964671 +1    13     6     1
  C     1.39292798 +1  119.1680600 +1   -0.0267922 +1    15    13     6
  H     1.09838253 +1  117.4463192 +1 -179.8779511 +1     7     5    10
  H     1.09813411 +1  117.4372274 +1  179.9477624 +1     8     5     9
  H     1.08741634 +1  120.0907570 +1  179.9958254 +1     9     8     5
  H     1.08725400 +1  120.0756767 +1 -179.9432016 +1    10     7    11
  H     1.09017487 +1  120.4064838 +1 -179.9627237 +1    11    10     7
  H     1.10127937 +1  118.1866408 +1  179.9554043 +1    12     6    14
  H     1.10041305 +1  118.1663348 +1 -179.9795835 +1    13     6    15
  H     1.08910486 +1  119.8960794 +1 -179.9834839 +1    14    12     6
  H     1.08918488 +1  119.8921457 +1 -179.9854824 +1    15    13    16
  H     1.09114368 +1  120.4874148 +1  179.9949203 +1    16    15    13