Accuracy

Tb_(QALFUE) r   6935 Terbium complex, CCDC: QALFUE (Geo)

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    #  Species Formula
  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
  6932 Terbium complex, CCDC: MIHNUM (Geo)C51H30O8F21P2Tb
  6933 Terbium complex, CCDC: PEJZAF (Geo)C72H64N4O8P4Tb
  6934 Terbium complex, CCDC: FAGZAP (Geo)C7H18NO10STb
  6935 Terbium complex, CCDC: QALFUE (Geo) C14H26O12S2Tb
  6936 Terbium complex, CCDC: ZUNCEQ (Geo)C36H38N8O10Tb2
  6937 Terbium complex, CCDC: XUGBUW (Geo)C66H114O12Tb2
  6938 Terbium complex, CCDC: IDOZEG (Geo)C54H58N4O12Tb2
  6939 Terbium complex, CCDC: NIGYUX (Geo)C42H34N8O14Tb2
  6940 Terbium complex, CCDC: JAXWOU01 (Geo)C56H46O18Tb2
  6941 Terbium complex, CCDC: COSVOV (Geo)C64H56N6O26Tb2
  6942 Terbium complex, CCDC: XOCDIC (Geo)C12H12O18F18Tb2
  6943 Terbium complex, CCDC: BACBUC (Geo)C42H34O20Cl12Tb2
  6944 Dysprosium complex, CCDC: XEQMAH (Geo)C27H27N4O3Dy
  6945 Dysprosium complex, CCDC: TUQTUU01 (Geo)C48H66N8O5Dy


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: QALFUE
 <Tb-O2> <Tb-O3> <> <Tb-O4> <> <> <Tb-O5> <> <> <Tb-O6> <> <> <Tb-O7> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34264290 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34779997 +1   90.0117353 +1    0.0000000 +0     1     2     0
  O     2.36539997 +1   82.8944249 +1 -175.4349512 +1     1     2     3
  O     2.38258862 +1  179.9970517 +1 -141.1668210 +1     1     2     3
  O     2.38440002 +1   75.6458793 +1 -101.4594566 +1     1     2     3
  O     2.38780002 +1  109.9216052 +1   58.2519685 +1     1     2     3
  O     3.73563825 +1   57.8578774 +1 -141.8241140 +1     1     2     3
  O     3.81234872 +1   67.1330933 +1   96.5854367 +1     1     2     3
  S     1.53818173 +1  153.2712936 +1 -149.1238211 +1     5     1     2
  O     2.45435630 +1  132.9835823 +1  155.6815755 +1     2     1     3
  O     1.58843344 +1  100.5581128 +1  -16.5293187 +1    10     5     1
  O     2.52701598 +1   59.5407513 +1 -148.4271662 +1    11     2     1
  O     1.42725765 +1  114.3284889 +1  106.0397683 +1    10     5     1
  C     1.71971249 +1  107.3565745 +1 -126.4797129 +1    10     5     1
  S     1.42687547 +1   34.8348244 +1  -35.7729415 +1    13    11     2
  C     1.39815250 +1  120.3676850 +1  120.6968042 +1    15    10     5
  H     1.09800096 +1  120.9632502 +1    0.2320357 +1    17    15    10
  C     1.38971192 +1  120.1396748 +1 -179.8687718 +1    17    15    10
  H     1.09048363 +1  119.8349825 +1 -179.7524847 +1    19    17    15
  C     1.40002929 +1  120.3542799 +1   -0.1583238 +1    19    17    15
  C     1.39904952 +1  119.3720794 +1   -0.0913835 +1    21    19    17
  H     1.09010276 +1  119.9734165 +1 -179.5029823 +1    22    21    19
  C     1.39744470 +1  119.9891599 +1  -59.5924246 +1    15    10     5
  H     1.09501551 +1  121.1090910 +1   -0.4713446 +1    24    15    10
  C     1.48617513 +1  119.8958422 +1 -179.6128673 +1    21    19    17
  H     1.10002895 +1  113.2982308 +1 -179.4792558 +1    26    21    19
  H     1.10382749 +1  111.4006631 +1   60.3388044 +1    26    21    19
  H     1.10207561 +1  111.7169383 +1  -58.8136221 +1    26    21    19
  C     1.72296693 +1  114.0926844 +1 -120.1488744 +1    16    13    11
  C     1.39772882 +1  120.6611455 +1  129.3371467 +1    30    16    13
  H     1.09909414 +1  121.0404084 +1   -1.4611597 +1    31    30    16
  C     1.39052801 +1  120.1444686 +1  178.7955825 +1    31    30    16
  H     1.09155515 +1  119.7479984 +1  179.5176073 +1    33    31    30
  C     1.39923184 +1  120.4208027 +1    0.1369757 +1    33    31    30
  C     1.40012748 +1  119.2714828 +1    0.2875894 +1    35    33    31
  H     1.09090086 +1  119.8857709 +1  178.6605795 +1    36    35    33
  C     1.39797731 +1  119.7403138 +1  -50.8801325 +1    30    16    13
  H     1.09569726 +1  121.1364855 +1    2.4505757 +1    38    30    16
  C     1.48506752 +1  119.9970933 +1  179.6452183 +1    35    33    31
  H     1.10031722 +1  113.4423723 +1  177.4700139 +1    40    35    33
  H     1.10187284 +1  112.0907726 +1   56.2417527 +1    40    35    33
  H     1.10538412 +1  111.2302284 +1  -62.6914109 +1    40    35    33
  H     0.96057306 +1  112.5451075 +1  -14.5813857 +1     9     1     2
  H     0.95747794 +1  141.2627570 +1  154.4340679 +1     9     1     2
  H     0.93587146 +1  152.1748509 +1  178.2155550 +1     8     1     2
  H     1.43559190 +1   90.3645799 +1   -9.8747643 +1     8     1     2
  H     0.95251099 +1  139.5705870 +1   86.7895375 +1     6     1     2
  H     1.11758320 +1  110.4857462 +1  -58.1138037 +1     6     1     2
  H     0.93000438 +1  134.2402782 +1   36.4559116 +1     7     1     2
  H     1.03085229 +1  103.7093003 +1  115.9843907 +1     3     1     2
  H     0.96086065 +1  147.4461253 +1  -48.0616234 +1     3     1     2
  H     0.94329816 +1  141.7712554 +1 -146.3993348 +1     4     1     2
  H     1.44228375 +1  114.7467521 +1  179.9318910 +1     7     1     2
  H     1.19034973 +1  111.7080167 +1   45.0768972 +1     4     1     2