Accuracy

Tb_(BUVXEV01) r   6917 Terbium complex, CCDC: BUVXEV01 (Geo)

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    #  Species Formula
  6907 Terbium complex, CCDC: XAXXUP (Geo)C40H67N2O6Tb
  6908 Terbium complex, CCDC: NASTUW (Geo)C26H28N8O6Tb
  6909 Terbium complex, CCDC: LIFJEP (Geo)C38H26N12O6Tb
  6910 Terbium complex, CCDC: VAPTEL (Geo)C66H72N12O6Tb
  6911 Terbium complex, CCDC: VAPTEL01 (Geo)C66H72N12O6Tb
  6912 Terbium complex, CCDC: XARXET (Geo)C15H16N3O8Tb
  6913 Terbium complex, CCDC: CULSEH (Geo)C18H28N4O8Tb
  6914 Terbium complex, CCDC: XAWTUK (Geo)C15H15N5O8Tb
  6915 Terbium complex, CCDC: BAFZOY (Geo)C20H18N5O8Tb
  6916 Terbium complex, CCDC: DUCQEX (Geo)C13H14N8O8Tb
  6917 Terbium complex, CCDC: BUVXEV01 (Geo) H18O9Tb
  6918 Terbium complex, CCDC: ZZZARD01 (Geo)H18O9Tb
  6919 Terbium complex, CCDC: KUYBEL (Geo)C6H22O9Tb
  6920 Terbium complex, CCDC: FOPPUV (Geo)C8H26O9Tb
  6921 Terbium complex, CCDC: KITGAV (Geo)C8H26O9Tb
  6922 Terbium complex, CCDC: HANBUT (Geo)C10H28O9Tb
  6923 Terbium complex, CCDC: JEXWOY (Geo)C21H9N3O12Tb
  6924 Terbium complex, CCDC: TOKVIY (Geo)C30H60N6O12Tb
  6925 Terbium complex, CCDC: SEGVEF (Geo)C8H8O16Tb
  6926 Terbium complex, CCDC: XORGAM (Geo)C21H23O16Tb
  6927 Terbium complex, CCDC: LEYHOM (Geo)C12H30N3O18Tb


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES CHARGE=3.0
Terbium complex, CCDC: BUVXEV01
 <Tb-O2> <Tb-O2> <> <Tb-O4> <> <> <Tb-O5> <> <> <Tb-O6> <> <> <Tb-O6> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.37929999 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.37930001 +1   82.5763881 +1    0.0000000 +0     1     2     0
  O     2.37980005 +1   88.4349766 +1 -165.4887587 +1     1     2     3
  O     2.37982897 +1   94.6627559 +1  -95.2470320 +1     1     2     3
  O     2.38029996 +1  165.4449591 +1   80.8306198 +1     1     2     3
  O     2.38030000 +1   83.0973517 +1   99.9473335 +1     1     2     3
  O     4.23559187 +1   91.5389190 +1 -130.3929801 +1     1     2     3
  O     4.40473105 +1  157.3587380 +1  169.1439558 +1     1     2     3
  O     4.37753140 +1   84.1184023 +1   27.0706041 +1     1     2     3
  H     0.98236292 +1  127.8642759 +1 -175.0428013 +1     8     1     2
  H     1.03189478 +1  124.1016888 +1  -86.0010746 +1     5     1     2
  H     0.99440266 +1  135.4274882 +1   95.7981516 +1     5     1     2
  H     0.98300173 +1  127.7899611 +1    5.7452408 +1     8     1     2
  H     0.98286025 +1  125.2150335 +1  140.3261681 +1     9     1     2
  H     0.98246322 +1  124.9471275 +1  -68.7133811 +1     9     1     2
  H     0.98399953 +1  123.2516266 +1 -164.8604845 +1    10     1     2
  H     0.98436388 +1  127.1934242 +1  -13.7611673 +1    10     1     2
  H     1.12984287 +1  130.4707520 +1  119.6189007 +1     6     1     2
  H     0.97566579 +1  130.8799701 +1  -66.0367166 +1     6     1     2
  H     1.13791435 +1  129.7209320 +1   91.7970115 +1     3     1     2
  H     0.97572774 +1  132.0769821 +1  -91.2884740 +1     3     1     2
  H     1.03306978 +1  124.0361195 +1   94.7363999 +1     4     1     2
  H     0.99398757 +1  135.3582853 +1  -90.1909371 +1     4     1     2
  H     1.00306741 +1  128.6847162 +1  178.2643209 +1     7     1     2
  H     1.00321695 +1  131.4694557 +1   -4.2210706 +1     7     1     2
  H     1.00307893 +1  128.2457181 +1   -4.8424244 +1     2     1     3
  H     1.00307759 +1  131.7110667 +1  170.0179617 +1     2     1     3