Accuracy

Tb_(HANBUT) r   6922 Terbium complex, CCDC: HANBUT (Geo)

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    #  Species Formula
  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
  6932 Terbium complex, CCDC: MIHNUM (Geo)C51H30O8F21P2Tb


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: HANBUT
 <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     2.37609995 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.39939998 +1  152.8393533 +1    0.0000000 +0     1     2     0
  O     2.40560001 +1   72.8479639 +1  -51.6291509 +1     1     2     3
  O     2.49780000 +1   77.7116466 +1   41.2696134 +1     1     2     3
  O     2.42210000 +1  136.1733991 +1  167.7610895 +1     1     2     3
  O     2.43329997 +1   89.5222854 +1  114.1438547 +1     1     2     3
  O     4.17949943 +1  157.5146020 +1   84.9196107 +1     1     2     3
  O     3.64561152 +1  117.0450901 +1   76.1992330 +1     1     2     3
  O     3.86853727 +1   40.0019882 +1   -3.0431331 +1     1     2     3
  C     1.49210440 +1  134.8988205 +1  170.9526046 +1     6     1     2
  C     1.43115198 +1   87.2123689 +1   97.9099010 +1     8     1     2
  C     1.42762893 +1  117.9451272 +1  -21.2180660 +1     8     1     2
  C     1.42418904 +1  138.8655827 +1  149.7352057 +1     9     1     2
  C     1.42433711 +1  101.3029762 +1  -46.4321575 +1     9     1     2
  C     1.46255456 +1  124.1547300 +1 -179.8992172 +1     5     1     2
  C     1.46250991 +1  124.2315181 +1    2.2312325 +1     5     1     2
  C     1.43397386 +1   91.6461157 +1  124.9177950 +1    10     1     2
  C     1.43239145 +1   92.0783381 +1 -119.3250055 +1    10     1     2
  C     1.50296799 +1  131.4034625 +1    1.6838218 +1     4     1     2
  H     1.11346868 +1  105.5248283 +1 -144.0850103 +1    11     6     1
  H     1.10580500 +1  103.3992588 +1  -28.1780380 +1    11     6     1
  H     1.12314327 +1  105.4347048 +1  159.6656286 +1    12     8     1
  H     1.10444449 +1  111.2100052 +1  -82.7365970 +1    12     8     1
  H     1.11690803 +1  108.0952532 +1  159.2699762 +1    13     8     1
  H     1.11290202 +1  100.8277346 +1  -86.8407152 +1    13     8     1
  H     1.11359458 +1  112.1883843 +1  174.5470119 +1    14     9     1
  H     1.10899288 +1  103.8690633 +1  -69.4311995 +1    14     9     1
  H     1.10906240 +1  106.3488092 +1   90.5116907 +1    15     9     1
  H     1.11416751 +1  111.4598328 +1 -151.1653765 +1    15     9     1
  H     1.10591459 +1  103.3248959 +1   35.2825757 +1    16     5     1
  H     1.11017945 +1  109.2234354 +1  150.7870895 +1    16     5     1
  H     1.10726211 +1  103.9424913 +1   36.9402993 +1    17     5     1
  H     1.11219174 +1  109.3663279 +1  151.3067111 +1    17     5     1
  H     1.10547093 +1  111.9903236 +1   87.5977212 +1    18    10     1
  H     1.12415156 +1  102.8126887 +1 -156.3653590 +1    18    10     1
  H     1.12702968 +1  103.4563798 +1  158.3454566 +1    19    10     1
  H     1.10669895 +1  111.9886853 +1  -86.0424060 +1    19    10     1
  H     1.11357506 +1  106.0076434 +1 -155.5077762 +1    20     4     1
  H     1.10586205 +1  103.1336621 +1  -40.2644540 +1    20     4     1
  H     1.07609438 +1  113.2294299 +1    1.9845482 +1     2     1     3
  H     0.98550690 +1  143.6780269 +1 -174.4747879 +1     2     1     3
  H     0.98534699 +1  143.1932569 +1   31.6550316 +1     7     1     2
  H     1.02550466 +1  111.2250697 +1 -130.7329183 +1     7     1     2
  H     0.97718193 +1  142.6667316 +1  -54.0935132 +1     3     1     2
  H     1.09683777 +1  116.3110730 +1  129.4333046 +1     3     1     2
  H     0.99937917 +1  123.1277920 +1  176.8420452 +1     4     1     2
  H     1.00023416 +1  118.1800875 +1  -23.7072569 +1     6     1     2