Accuracy

Tb_(DUCQEX) r   6916 Terbium complex, CCDC: DUCQEX (Geo)

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    #  Species Formula
  6906 Terbium complex, CCDC: DIFHEF (Geo)H41BC54N9O4Tb
  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


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: DUCQEX
 <Tb-O2> <Tb-O3> <> <Tb-O4> <> <> <Tb-O5> <> <> <> <> <> <> <> <> <Tb-N8> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.33900002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35280000 +1  116.3297154 +1    0.0000000 +0     1     2     0
  O     2.43480004 +1   93.6954765 +1   65.1180253 +1     1     2     3
  O     2.46223803 +1   58.6896673 +1 -100.4484541 +1     1     2     3
  O     2.14593296 +1  168.8008277 +1   31.6982521 +1     5     1     2
  O     2.15073846 +1  179.9972328 +1   62.7592108 +1     4     1     2
  N     2.51568309 +1  139.3081529 +1  161.3534951 +1     1     2     3
  N     3.29594355 +1   88.3255610 +1  126.5012649 +1     1     2     3
  N     3.16565145 +1  130.6795379 +1 -105.2652343 +1     1     2     3
  N     1.20242329 +1   33.8879674 +1  158.2516508 +1     6     5     1
  N     1.19173840 +1   31.7075568 +1  176.7725878 +1     7     4     1
  O     1.26094380 +1  126.6813142 +1  177.6100860 +1    12     7     4
  O     1.21295587 +1  128.8335143 +1 -179.3964011 +1    11     6     5
  C     1.35899085 +1  104.1307769 +1 -116.2639631 +1    10     1     2
  C     1.39345789 +1  122.4787539 +1  150.1113256 +1    15    10     1
  H     1.09390339 +1  120.5469075 +1 -179.5844692 +1    16    15    10
  C     1.40216129 +1  118.7110166 +1    2.0174707 +1    16    15    10
  H     1.09539136 +1  119.9076045 +1 -179.4976697 +1    18    16    15
  C     1.38530331 +1  119.2050464 +1    0.3884664 +1    18    16    15
  H     1.09282386 +1  122.0495680 +1 -179.9817208 +1    20    18    16
  C     1.41119286 +1  118.5143233 +1   -1.9531217 +1    20    18    16
  H     1.10057874 +1  120.5951244 +1 -178.0197160 +1    22    20    18
  C     1.40646085 +1  123.5157695 +1  121.8679551 +1     8     1     2
  N     1.32992053 +1  124.9344680 +1  163.1571884 +1    24     8     1
  C     1.38193750 +1  118.3158172 +1    2.3103966 +1    25    24     8
  N     1.37940993 +1  120.3451407 +1    4.5374145 +1    26    25    24
  C     1.33289809 +1  118.7838764 +1   -4.1262923 +1    27    26    25
  C     1.35691635 +1   99.0141814 +1 -172.3520401 +1     9     1     2
  C     1.39668414 +1  122.4101561 +1  144.4609686 +1    29     9     1
  H     1.09506729 +1  120.9955175 +1 -178.6993268 +1    30    29     9
  C     1.40168912 +1  118.6372098 +1    1.4224070 +1    30    29     9
  H     1.09549563 +1  119.9305426 +1  179.5579041 +1    32    30    29
  C     1.38682886 +1  119.0920979 +1    0.6856639 +1    32    30    29
  H     1.09232044 +1  121.1976084 +1  179.3950217 +1    34    32    30
  C     1.33933710 +1  130.7547432 +1  -31.6659948 +1     9     1     2
  H     1.09868061 +1  115.9122386 +1   45.7112675 +1    36     9     1
  N     1.33883418 +1  119.7386989 +1 -177.5070561 +1    26    25    24
  H     1.01250281 +1  120.7473882 +1 -178.3213830 +1    38    26    25
  H     1.01270684 +1  120.7005998 +1    2.7230283 +1    38    26    25
  H     1.12249700 +1  114.9816654 +1   82.3818122 +1     3     1     2
  H     0.95971373 +1  141.9890431 +1 -102.6019406 +1     3     1     2
  H     1.04598680 +1  108.1943096 +1   99.2422160 +1     2     1     3
  H     0.96746370 +1  145.5086360 +1  -73.0506040 +1     2     1     3