Accuracy

Lu(Cp)2Cl2(-) (BISVEE) r   7189 Lu(Cp)2Cl2(-) (BISVEE) (Geo)

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    #  Species Formula
  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
  7184 Lu(Cp)2N2Cl (BIVBIR)aC18H28N2ClLu
  7185 Lu(III)(Cp)2OCl (FATGIQ10) (Geo)C14H18OClLu
  7186 Lu(III)(Cp)2OCl (FATGIQ10)C14H18OClLu
  7187 Lu(Cp)2O2Cl (AXOMUV) (Geo)C28H30O2ClLu
  7188 Lu(Cp)2O2Cl (AXOMUV)C28H30O2ClLu
  7189 Lu(Cp)2Cl2(-) (BISVEE) (Geo) C21H18Cl2Lu
  7190 Lu(III)O4Cl3 (EWIQIK) (Geo)C8H20O4Cl3Lu
  7191 Lu(III)O4Cl3 (EWIQIK)C8H20O4Cl3Lu
  7192 Lu(III)Cl5O(2-) (UNETAI) (Geo)H2OCl5Lu
  7193 Lu(III)(Cp)2BrN2 (HAFWIU) (Geo)C24H28N2BrLu
  7194 Lu(III)(Cp)2BrN2 (HAFWIU)C24H28N2BrLu
  7195 Lu(III)N5OI(+) (ESECIO) (Geo)C28H32N5OILu
  7196 Lu(III)N5OI(+) (ESECIO)C28H32N5OILu
  7197 Lu(III)N5I2(+) (ESECOU) (Geo)C25H25N5I2Lu
  7198 Lu(III)O4I2(+) (ESECEK) (Geo)C12H32O4I2Lu
  7199 Lu(III)O4I2(+) (ESECEK)C12H32O4I2Lu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=-1 PULAY PM7
Lu(Cp)2Cl2(-) (BISVEE)
 <Lu-Cl> <><Cl-Lu-Cl> <Lu-C> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.50145500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.48822208 +1   96.4607490 +1    0.0000000 +0     1     2     0
  C     2.81829400 +1   77.0615220 +1  125.4306996 +1     1     2     3
  C     2.43959783 +1   95.0469596 +1   80.6222188 +1     4     1     2
  C     1.38145933 +1   88.1140951 +1 -122.5410241 +1     5     4     1
  C     1.40754235 +1  121.8414456 +1   -0.0489915 +1     6     5     4
  C     1.38273927 +1  120.2869694 +1   -0.1591223 +1     7     6     5
  C     1.44115034 +1   62.3015983 +1  143.6288456 +1     4     1     5
  C     1.40237766 +1  130.8494559 +1  101.4520832 +1     9     4     1
  C     1.38335097 +1  119.0374783 +1 -170.1172880 +1    10     9     4
  C     1.41011316 +1  120.5873395 +1    0.2733957 +1    11    10     9
  C     1.38107472 +1  122.0569622 +1    0.0257702 +1    12    11    10
  C     1.41941210 +1  119.7614315 +1    1.8170685 +1    13    12    11
  C     1.44438503 +1  133.2568046 +1  163.9097902 +1    14    13    12
  C     1.51515476 +1  123.5194726 +1  -12.5063317 +1    15    14    13
  C     1.52019218 +1  102.0499704 +1  -71.9543636 +1    16    15    14
  C     1.44024973 +1  126.5220851 +1   90.3221643 +1    17    16    15
  C     1.43192159 +1  107.9461946 +1 -168.0495929 +1    18    17    16
  C     1.41464642 +1  108.4115724 +1    1.1123744 +1    19    18    17
  C     1.43275076 +1  124.8208068 +1 -165.9281581 +1    17    16    18
  C     1.54083482 +1  112.1825128 +1  120.4230571 +1    16    15    17
  C     1.54036442 +1  113.5081560 +1  120.5601402 +1    16    15    22
  H     1.08501498 +1  151.5967065 +1 -178.1717945 +1     5     4     6
  H     1.08840308 +1  119.4186205 +1  179.7301799 +1     6     5     7
  H     1.08498646 +1  119.5305499 +1  178.8923602 +1     7     6     8
  H     1.08793799 +1  121.8895079 +1  179.4761925 +1     8     7     6
  H     1.09313868 +1  119.1574328 +1 -179.8156554 +1    10     9    11
  H     1.08825532 +1  120.1494790 +1  177.8857810 +1    11    10    12
  H     1.09191606 +1  118.5466046 +1  179.5731269 +1    12    11    13
  H     1.09097027 +1  120.8536577 +1  179.8236212 +1    13    12    14
  H     1.07656870 +1  125.9219081 +1 -170.1226702 +1    18    17    19
  H     1.07764758 +1  125.2420508 +1 -176.6024476 +1    19    18    20
  H     1.07883623 +1  126.4598791 +1 -174.7256393 +1    20    19    18
  H     1.07928724 +1  126.3836252 +1  -19.6702631 +1    21    17    16
  H     1.09394396 +1  112.2042375 +1  -68.0513697 +1    22    16    15
  H     1.09739579 +1  109.5893197 +1  119.9021140 +1    22    16    36
  H     1.09542919 +1  110.7368770 +1  120.7316910 +1    22    16    37
  H     1.09530651 +1  111.6289284 +1   68.4069998 +1    23    16    15
  H     1.09651409 +1  110.0247528 +1 -120.7644317 +1    23    16    39
  H     1.09577242 +1  110.4906330 +1 -120.7104759 +1    23    16    40
  C     1.40864274 +1   31.7604648 +1   -3.8749204 +1     5     4    24