Accuracy

Lu_(BUVVUJ) r   7168 Lutetium complex, CCDC: BUVVUJ (Geo)

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    #  Species Formula
  7158 Lutetium complex, CCDC: XEWREW (Geo)C19H21N3O6Lu
  7159 Lutetium complex, CCDC: NIJHAP (Geo)C21H17N4O7Lu
  7160 Lutetium complex, CCDC: FOPPOP (Geo)H16O8Lu
  7161 Lutetium complex, CCDC: XAWVAS (Geo)C15H15N5O8Lu
  7162 LuN3O6 (BAGBUH) (Geo)C20H18N5O8Lu
  7163 LuN3O6 (BAGBUH)C20H18N5O8Lu
  7164 Lutetium complex, CCDC: BAGBUH (Geo)C20H18N5O8Lu
  7165 Lu(III)O8(3+) (QAKXAB) (Geo)C32H64N8O8Lu
  7166 Lu(III)(H2O)9(3+) (BUVVUJ) (Geo)H18O9Lu
  7167 Lu(III)(H2O)9(3+) (BUVVUJ)H18O9Lu
  7168 Lutetium complex, CCDC: BUVVUJ (Geo) H18O9Lu
  7169 Lutetium complex, CCDC: PUDTIR (Geo)C28H36N5O9Lu
  7170 Lutetium complex, CCDC: EFIZEY (Geo)C15H11N6O9Lu
  7171 Lutetium complex, CCDC: RADRIX (Geo)C20H16N7O9Lu
  7172 Lutetium complex, CCDC: RADROD (Geo)C24H16N7O9Lu
  7173 Lutetium complex, CCDC: EFIZOI (Geo)C17H17N6O10Lu
  7174 Lutetium complex, CCDC: POHDIZ (Geo)C2H7N4O11Lu
  7175 Lu(III)O8(-) (OGEYEE) (Geo)C8H12O12Lu
  7176 Lu(III)O8(-) (OGEYEE)C8H12O12Lu
  7177 Lutetium complex, CCDC: HELGUA (Geo)H6N3O12Lu
  7178 Lutetium complex, CCDC: XONZOP (Geo)C46H48NO4Si2Lu


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
Lutetium complex, CCDC: BUVVUJ
 <Lu-O2> <Lu-O2> <> <Lu-O4> <> <> <Lu-O4> <> <> <Lu-O6> <> <> <Lu-O6> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.29090003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.29090017 +1   95.8478070 +1    0.0000000 +0     1     2     0
  O     2.29099994 +1   71.0860303 +1  141.8366717 +1     1     2     3
  O     2.29100003 +1  141.0082980 +1   67.2493450 +1     1     2     3
  O     2.29259996 +1   71.0198266 +1 -142.2626071 +1     1     2     3
  O     2.29260027 +1  140.7622236 +1  -67.3861144 +1     1     2     3
  O     2.28044741 +1   70.2918933 +1   66.4363015 +1     1     2     3
  O     2.28096819 +1   70.5662079 +1  -67.0404261 +1     1     2     3
  O     2.28560495 +1  131.9739525 +1  179.5682400 +1     1     2     3
  H     0.99091285 +1  126.7753910 +1   13.2426392 +1    10     1     2
  H     0.99410871 +1  122.7376872 +1   70.5473222 +1     5     1     2
  H     0.99478995 +1  122.1394725 +1 -158.2312880 +1     5     1     2
  H     0.99099015 +1  127.1869732 +1  163.7067217 +1    10     1     2
  H     0.99111599 +1  126.9917150 +1  -23.4712520 +1     9     1     2
  H     0.99109956 +1  127.1324927 +1  127.4790409 +1     9     1     2
  H     0.99147060 +1  126.8365374 +1   53.9213666 +1     8     1     2
  H     0.99153843 +1  126.7322859 +1 -156.9885416 +1     8     1     2
  H     0.99409002 +1  122.7558510 +1  -61.9057261 +1     7     1     2
  H     0.99467915 +1  122.0933258 +1   69.3630492 +1     7     1     2
  H     0.99399980 +1  122.9302080 +1    4.1524221 +1     3     1     2
  H     0.99450202 +1  122.1827504 +1  135.9208813 +1     3     1     2
  H     0.99384354 +1  122.7632084 +1 -146.7450929 +1     4     1     2
  H     0.99452408 +1  122.5299733 +1   81.2132903 +1     4     1     2
  H     0.99367328 +1  122.9706087 +1  139.4845261 +1     6     1     2
  H     0.99441279 +1  122.3224751 +1    7.4379070 +1     6     1     2
  H     0.99416199 +1  122.3860502 +1   -3.4403820 +1     2     1     3
  H     0.99448355 +1  122.1748788 +1 -134.3321466 +1     2     1     3