Accuracy

Tb_(KITGAV) r   6921 Terbium complex, CCDC: KITGAV (Geo)

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    #  Species Formula
  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
  6930 Terbium complex, CCDC: PAGBOO (Geo)C31H64N3OSi6Tb
  6931 Terbium complex, CCDC: MIHPIC (Geo)C51H33O8F18P2Tb


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: KITGAV
 <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     2.37349997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.39090002 +1  100.6016249 +1    0.0000000 +0     1     2     0
  O     2.39129998 +1   81.2969786 +1  140.5414622 +1     1     2     3
  O     2.39560001 +1  140.0018120 +1 -124.8685607 +1     1     2     3
  O     2.42410000 +1  149.6835649 +1   61.4208739 +1     1     2     3
  O     2.45819997 +1   76.5206721 +1  -68.4404594 +1     1     2     3
  O     4.09009758 +1   33.9256142 +1  -99.7770962 +1     1     2     3
  O     3.66829664 +1  122.1535157 +1  -43.4662192 +1     1     2     3
  O     4.19018900 +1  160.8461665 +1  -66.9248469 +1     1     2     3
  C     1.48885395 +1  135.1122618 +1  157.0455173 +1     6     1     2
  C     1.42967622 +1   88.4698734 +1  140.5474016 +1    10     1     2
  C     1.42627646 +1  118.0845327 +1   21.0236797 +1    10     1     2
  C     1.42428741 +1  138.3267902 +1  167.0115275 +1     9     1     2
  C     1.42190429 +1  100.5645754 +1  -34.9566963 +1     9     1     2
  C     1.47107711 +1  124.1142820 +1 -164.8237319 +1     7     1     2
  C     1.46806226 +1  125.8893434 +1   18.5069775 +1     7     1     2
  C     1.51783879 +1  110.2410778 +1  -94.8953327 +1    17     7     1
  H     0.99895454 +1  118.0415568 +1  -35.2389914 +1     6     1     2
  H     0.99989749 +1  147.3743653 +1   10.8726919 +1     8     1     2
  H     1.00474630 +1  131.5964237 +1 -167.0162672 +1     4     1     2
  H     1.00613264 +1  128.9253519 +1   13.2835900 +1     4     1     2
  H     0.97823047 +1  139.0575204 +1  -83.0982379 +1     2     1     3
  H     1.12086131 +1  119.7945318 +1   98.8076827 +1     2     1     3
  H     0.98061020 +1  141.2690237 +1  -42.5022621 +1     5     1     2
  H     1.08547494 +1  116.7827881 +1  143.6911838 +1     5     1     2
  H     1.03121335 +1  112.0707743 +1 -125.7448011 +1     3     1     2
  H     0.98789281 +1  143.3751059 +1   40.8491667 +1     3     1     2
  H     1.11311969 +1  105.7189704 +1 -140.4102034 +1    11     6     1
  H     1.10546548 +1  103.3576598 +1  -24.3375793 +1    11     6     1
  H     1.12335910 +1  105.5262851 +1  156.9255720 +1    12    10     1
  H     1.10488425 +1  111.2912112 +1  -85.4243663 +1    12    10     1
  H     1.11715970 +1  108.2529328 +1  160.2984217 +1    13    10     1
  H     1.11220524 +1  101.0331274 +1  -85.7444083 +1    13    10     1
  H     1.11343380 +1  112.0206512 +1  174.8840361 +1    14     9     1
  H     1.10916466 +1  103.3438630 +1  -69.4581377 +1    14     9     1
  H     1.10928333 +1  106.1403920 +1   92.7221721 +1    15     9     1
  H     1.11488013 +1  111.5987091 +1 -149.4605600 +1    15     9     1
  H     1.10512237 +1  103.4091683 +1   33.0832402 +1    16     7     1
  H     1.11047700 +1  108.9034880 +1  148.3489261 +1    16     7     1
  H     1.10723986 +1  103.9385682 +1   27.1894630 +1    17     7     1
  H     1.11130178 +1  108.5554006 +1  141.5418738 +1    17     7     1
  H     1.11341013 +1  113.7190644 +1  -31.2094721 +1    18    17     7
  H     1.11581662 +1  112.3705160 +1 -155.0481019 +1    18    17     7