Accuracy

Tb_(KUYBEL) r   6919 Terbium complex, CCDC: KUYBEL (Geo)

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    #  Species Formula
  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
  6928 Terbium complex, CCDC: LEJTEZ (Geo)C12H16N6O20Tb
  6929 Terbium complex, CCDC: BAFWUB (Geo)C21H17O9F18Tb


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=1.0
Terbium complex, CCDC: KUYBEL
 <Tb-O2> <Tb-O3> <> <Tb-O4> <> <> <Tb-O5> <> <> <Tb-O*> <> <> <Tb-O6> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.39180004 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.41590004 +1  123.6764748 +1    0.0000000 +0     1     2     0
  O     2.41759999 +1   74.3626825 +1 -107.1761445 +1     1     2     3
  O     2.42470000 +1  120.0101057 +1  149.5394718 +1     1     2     3
  O     2.43080002 +1   72.1652697 +1   76.2819135 +1     1     2     3
  O     2.43390002 +1  177.2653916 +1  -94.1579237 +1     1     2     3
  O     3.91209469 +1   37.6511972 +1 -101.7625186 +1     1     2     3
  O     4.27631598 +1   45.9008363 +1  100.7460797 +1     1     2     3
  O     3.79237155 +1   70.6985519 +1  138.3570269 +1     1     2     3
  C     1.44373851 +1  144.7873094 +1  -31.2161285 +1     5     1     2
  C     1.41017970 +1   91.7079409 +1  146.8892805 +1    10     1     2
  C     1.42175754 +1  112.6209623 +1  -94.5258034 +1    10     1     2
  C     1.42290075 +1  115.2243673 +1  132.9952355 +1     9     1     2
  C     1.43878287 +1   76.9411710 +1   22.4237124 +1     9     1     2
  C     1.38893043 +1  138.7556805 +1  -70.5594176 +1     2     1     3
  H     1.10754461 +1  106.8872961 +1  170.1516024 +1    11     5     1
  H     1.10461935 +1  105.6658153 +1  -72.0491225 +1    11     5     1
  H     1.11099956 +1  101.7148904 +1  -72.8948849 +1    12    10     1
  H     1.10870462 +1  110.4946886 +1  172.4408551 +1    12    10     1
  H     1.10630453 +1  110.9100242 +1 -148.4695676 +1    13    10     1
  H     1.10488745 +1  108.7410402 +1  -28.1998939 +1    13    10     1
  H     1.11087199 +1  102.9725835 +1  133.3649078 +1    14     9     1
  H     1.10541473 +1  110.9796244 +1 -110.1309410 +1    14     9     1
  H     1.10345061 +1  110.5211879 +1   69.2719108 +1    15     9     1
  H     1.10427477 +1  106.2843812 +1 -171.2399421 +1    15     9     1
  H     1.10841468 +1  107.8572547 +1   39.7020776 +1    16     2     1
  H     1.10750396 +1  108.1041088 +1  157.2648066 +1    16     2     1
  H     1.11276458 +1   44.8011232 +1    3.5256805 +1     8     1     2
  H     0.96921303 +1  112.4944372 +1  -84.5474376 +1     8     1     2
  H     0.94842174 +1  158.2905885 +1   -9.0472377 +1     3     1     2
  H     1.12002386 +1   93.0557133 +1 -178.6782319 +1     3     1     2
  H     0.96064376 +1  136.5928271 +1 -132.9409459 +1     6     1     2
  H     1.04797978 +1  117.3476525 +1   34.6457260 +1     6     1     2
  H     0.94388135 +1  141.1362861 +1  174.6718656 +1     4     1     2
  H     1.26664872 +1  114.4153978 +1    6.7236596 +1     4     1     2
  H     0.92758235 +1  156.6609910 +1  -19.3703676 +1     7     1     2
  H     1.84586228 +1   81.2595937 +1 -117.2629837 +1     7     1     2