Accuracy

Lu_(EFIZOI) r   7173 Lutetium complex, CCDC: EFIZOI (Geo)

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    #  Species Formula
  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
  7179 Lutetium complex, CCDC: SUDDOK (Geo)C14H26O12S2Lu
  7180 Lutetium complex, CCDC: FEWKEX (Geo)C36H30N3O12S3Lu
  7181 Lu(III)N6(3-) (PUKRUI) (Geo)C6N6S6Lu
  7182 Lu(III)N6(3-) (PUKRUI)C6N6S6Lu
  7183 Lu(Cp)2N2Cl (BIVBIR)a (Geo)C18H28N2ClLu


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
Lutetium complex, CCDC: EFIZOI
 <Lu-O2> <Lu-O3> <> <Lu-O4> <> <> <Lu-O5> <> <> <Lu-N6> <> <> <> <> <> <Lu-N8> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.27910013 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.29630035 +1   68.5778478 +1    0.0000000 +0     1     2     0
  O     2.34690022 +1   72.3742541 +1  125.8442421 +1     1     2     3
  O     2.38108153 +1  127.6427263 +1  -99.4140196 +1     1     2     3
  N     2.44399875 +1  142.7157195 +1    5.7770498 +1     1     2     3
  O     2.16243340 +1   55.6195157 +1   29.3900172 +1     5     1     2
  N     2.45576936 +1  140.2124966 +1  162.1745859 +1     1     2     3
  N     2.32036776 +1   74.6590194 +1 -153.8614968 +1     1     2     3
  O     2.17815090 +1   59.3182219 +1 -127.3525436 +1     4     1     2
  C     1.35206463 +1  106.1757410 +1   -3.8013120 +1     9     1     2
  H     1.10975672 +1  116.2465004 +1   80.4810139 +1    11     9     1
  C     1.41420386 +1  121.2837752 +1 -103.8861988 +1    11     9     1
  H     1.09431027 +1  118.5548439 +1  175.1745733 +1    13    11     9
  C     1.38310153 +1  119.3892663 +1   -3.0175383 +1    13    11     9
  H     1.09400022 +1  120.6278558 +1  179.1921296 +1    15    13    11
  C     1.40533042 +1  119.9867747 +1   -0.6024300 +1    15    13    11
  H     1.08909276 +1  121.6548417 +1 -179.3305512 +1    17    15    13
  C     1.37909834 +1   97.2123432 +1 -126.1141378 +1     9     1     2
  C     1.35711409 +1   99.8974845 +1   54.3625400 +1     8     1     2
  C     1.39763853 +1  122.0873775 +1  122.6150825 +1    20     8     1
  H     1.08926629 +1  120.6769800 +1  177.2098748 +1    21    20     8
  C     1.39793786 +1  117.5701299 +1   -5.7016526 +1    21    20     8
  H     1.09422878 +1  119.6151946 +1  179.0776101 +1    23    21    20
  C     1.39676272 +1  120.5138709 +1   -4.6144336 +1    23    21    20
  H     1.08914749 +1  121.7400277 +1 -171.6989812 +1    25    23    21
  C     1.35610893 +1  100.5603916 +1  175.9291337 +1     8     1     2
  C     1.37108167 +1   98.0620143 +1  147.0830735 +1     6     1     2
  C     1.39577228 +1  123.5725425 +1 -119.3395655 +1    28     6     1
  H     1.08979278 +1  120.0981967 +1  179.7992157 +1    29    28     6
  C     1.39714956 +1  118.1530858 +1    2.4625771 +1    29    28     6
  H     1.09296982 +1  119.9623369 +1  176.8716950 +1    31    29    28
  C     1.38816056 +1  119.2597052 +1   -2.7117210 +1    31    29    28
  H     1.08994125 +1  121.3676944 +1  179.9020546 +1    33    31    29
  C     1.35106488 +1  111.8663858 +1   23.6184101 +1     6     1     2
  H     1.10078632 +1  116.4613024 +1  -74.5305709 +1    35     6     1
  N     1.27745846 +1   31.6547743 +1 -165.8762501 +1     7     5     1
  N     1.27816581 +1   31.0177489 +1   93.3533832 +1    10     4     1
  N     1.28697826 +1  148.8759635 +1  -41.1657904 +1     2     1     3
  O     1.24187939 +1  116.4976769 +1   24.0590033 +1    39     2     1
  O     1.21503451 +1  121.5372190 +1 -179.5806466 +1    37     7     5
  O     1.22817425 +1  119.4956657 +1 -175.8031127 +1    38    10     4
  O     1.21851814 +1  118.7575987 +1 -158.8160348 +1    39     2     1
  H     1.04496322 +1  107.9392586 +1   29.7207593 +1     3     1     2
  C     1.43201305 +1  129.3394782 +1 -101.3691673 +1     3     1     2
  H     1.10739633 +1  105.4294895 +1  -35.5098048 +1    45     3     1
  H     1.11143326 +1  105.5154594 +1 -152.2393593 +1    45     3     1
  C     1.52062897 +1  111.0081196 +1   86.1435803 +1    45     3     1
  H     1.09632082 +1  111.4445290 +1 -173.8335498 +1    48    45     3
  H     1.09990009 +1  111.6733754 +1   64.4012735 +1    48    45     3
  H     1.10306915 +1  110.9554519 +1  -54.3524839 +1    48    45     3