Accuracy

Lu(III)(Cp)C3(-) (CUTGUT) r   7125 Lu(III)(Cp)C3(-) (CUTGUT) (Geo)

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    #  Species Formula
  7115 Ytterbium complex, CCDC: TEBHUD (Geo)C15H26N5O4S3Yb
  7116 Ytterbium complex, CCDC: NENTOP (Geo)C11H21N4O11BrYb
  7117 Ytterbium complex, CCDC: EBUWAZ (Geo)C64H102O8Yb2
  7118 Ytterbium complex, CCDC: BEQTAS (Geo)C48H46N4O12Yb2
  7119 Ytterbium complex, CCDC: NIJFER (Geo)C42H34N8O14Yb2
  7120 Ytterbium complex, CCDC: YENRAK (Geo)C42H44N6O16Yb2
  7121 Ytterbium complex, CCDC: HOYKIP (Geo)C60H80N8O12P6Yb2
  7122 Ytterbium complex, CCDC: XEWZOO (Geo)C24H36O18Cl18Yb2
  7123 Lutetium, cationLu
  7124 Lutetium, atomLu
  7125 Lu(III)(Cp)C3(-) (CUTGUT) (Geo) C13H24Lu
  7126 Lu(III)(Cp)C3(-) (CUTGUT)C13H24Lu
  7127 Lu(III)C4(-) (FAZDIT) (Geo)C16H36Lu
  7128 Lu(III)C4(-) (FAZDIT)C16H36Lu
  7129 Lu(Cp)(C8) (LAWREG) (Geo)C17H21Lu
  7130 Lu(Cp)(C8) (LAWREG)C17H21Lu
  7131 Lu(III)(Cp)2CN (PAGGUZ) (Geo)C15H22NLu
  7132 Lu(III)(Cp)2CN (PAGGUZ)C15H22NLu
  7133 Lu(III)(Cp)2N2(-) (TABCOO) (Geo)C34H30N2Lu
  7134 Lu(III)(Cp)2N2(-) (TABCOO)C34H30N2Lu
  7135 Lu(III)C3N3 (CILCUV) (Geo)C27H36N3Lu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PULAY CHARGE=-1 PM7
Lu(III)(Cp)C3(-) (CUTGUT)
 <Lu-C> <Lu-C><C-Lu-C> <Lu-C(Cp)> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.56024600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.40029400 +1  109.6235510 +1    0.0000000 +0     1     2     0
  C     2.69964400 +1  160.7603179 +1   95.9576284 +1     1     2     3
  C     1.42776386 +1   74.3451846 +1  135.2947878 +1     4     1     2
  C     1.42643809 +1  108.0802100 +1  -61.5290494 +1     5     4     1
  C     2.59665966 +1  135.1003305 +1   -0.1002600 +1     6     5     4
  C     2.57098155 +1   86.0539009 +1 -140.0959394 +1     4     1     5
  C     1.48583421 +1  126.9724026 +1  -96.1297418 +1     4     1     8
  C     1.48259879 +1  125.4885222 +1 -173.1992746 +1     5     4     6
  C     1.48214821 +1  126.9150555 +1 -176.1702106 +1     6     5     7
  C     2.42406527 +1   91.9940866 +1  171.3662612 +1     1     2     4
  H     1.10036935 +1   91.8299993 +1  137.7698363 +1     7     6     5
  H     1.10546219 +1  100.8972936 +1  108.9941715 +1     7     6    13
  H     1.10173699 +1  136.7245920 +1  133.1874052 +1     7     6    14
  H     1.09891685 +1   85.1254136 +1 -111.2923354 +1     8     4     1
  H     1.10076849 +1  128.3319885 +1  108.4585041 +1     8     4    16
  H     1.10368098 +1  114.1405137 +1  143.3259705 +1     8     4    17
  H     1.09644628 +1  111.9924240 +1  -64.9315521 +1     9     4     1
  H     1.10265981 +1  110.1200294 +1  119.3694811 +1     9     4    19
  H     1.10247403 +1  109.5748592 +1  119.6475073 +1     9     4    20
  H     1.09595917 +1  112.5963036 +1 -141.2113911 +1    10     5     4
  H     1.10501224 +1  109.4284597 +1 -120.2150831 +1    10     5    22
  H     1.10082637 +1  110.9459848 +1 -119.2112946 +1    10     5    23
  H     1.09900242 +1  111.3842438 +1  -14.8294767 +1    11     6     5
  H     1.09942115 +1  112.3187583 +1 -121.7116105 +1    11     6    25
  H     1.10721786 +1  108.8839118 +1 -119.1993838 +1    11     6    26
  H     1.05760282 +1   85.2516385 +1  124.4544108 +1     2     1     3
  H     1.08226462 +1   67.4743422 +1  135.7783835 +1     2     1    28
  H     1.05883102 +1  158.3510079 +1   69.5010510 +1     2     1    29
  H     1.07382670 +1  179.9907732 +1 -171.3518814 +1     3     1     2
  H     1.10936512 +1   81.7586029 +1  -97.5749685 +1     3     1    31
  H     1.10499112 +1   77.9465012 +1  121.8388517 +1     3     1    32
  H     1.09423012 +1  105.8569446 +1   -1.6054212 +1    12     1     2
  H     1.09486963 +1  104.2327285 +1  121.0103668 +1    12     1    34
  H     1.09502594 +1  105.0269591 +1  119.5001827 +1    12     1    35
  C     1.43142512 +1  107.7706433 +1  175.9628252 +1     6     5    11
  C     1.42706970 +1  107.6888236 +1   -1.6576359 +1    37     6     5