Accuracy

Lu(Cp)(C8) (LAWREG) r   7129 Lu(Cp)(C8) (LAWREG) (Geo)

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    #  Species Formula
  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
  7136 Lu(III)C3N3 (CILCUV)C27H36N3Lu
  7137 Lutetium complex, CCDC: XEPLUZ (Geo)C40H32N8Lu
  7138 Lu(0)N8 (XEPLOT) (Geo)C40H32N8Lu
  7139 Lutetium complex, CCDC: DIHZID (Geo)C51H83N8Lu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PULAY PM7
Lu(Cp)(C8) (LAWREG)
 <Lu-C(Cp)> <Lu-C(C8)> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.50583500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.46140000 +1  136.7044028 +1    0.0000000 +0     1     2     0
  C     2.58013105 +1   87.4040183 +1  -20.1681048 +1     2     1     3
  C     2.30985798 +1   61.4030914 +1  -61.8298528 +1     2     1     4
  C     1.48354212 +1  161.5843493 +1  106.1771414 +1     5     2     1
  C     2.89295058 +1  112.0267371 +1  -64.1458273 +1     1     2     3
  C     1.46562177 +1   90.7805962 +1  -77.2461001 +1     3     1     2
  C     1.35574064 +1   74.9963473 +1 -129.2229825 +1     3     1     8
  C     1.46433790 +1  127.7226836 +1   78.0855045 +1     9     3     1
  H     1.11928062 +1  110.6355671 +1  154.2677462 +1     8     3     1
  H     1.12111015 +1  114.1040707 +1 -114.8725732 +1     3     1     9
  H     1.12007682 +1  118.5750588 +1  172.4290192 +1     9     3    10
  H     1.10043835 +1   89.4597709 +1   88.1779084 +1     4     2     1
  H     1.09991893 +1  136.2034439 +1 -115.9641574 +1     4     2    14
  H     1.11094737 +1  103.2506517 +1 -135.2818102 +1     4     2    15
  H     1.10093150 +1  111.5909604 +1 -168.0788804 +1     6     5     2
  H     1.11134823 +1  108.8932546 +1 -119.3350043 +1     6     5    17
  H     1.10033214 +1  111.7210701 +1 -119.6703348 +1     6     5    18
  C     1.42660004 +1   72.9453295 +1  -78.7304955 +1     2     1     5
  C     1.42946638 +1  107.9949865 +1   64.3007127 +1    20     2     1
  C     1.46539836 +1   59.2591569 +1  -77.8693654 +1     7     1     2
  C     1.35529233 +1  127.7553647 +1  -70.3761664 +1    22     7     1
  C     1.46442793 +1  127.8609190 +1   -0.4654525 +1    23    22     7
  C     1.48334529 +1  124.9761405 +1  176.6234198 +1    20     2    21
  C     1.48381769 +1  125.8181204 +1  179.9095543 +1    21    20     2
  H     1.12059974 +1  113.2906474 +1 -172.7022692 +1    22     7    23
  H     1.12010526 +1  118.4700179 +1 -172.0999497 +1    23    22    24
  H     1.11939889 +1  110.6572804 +1 -134.3052426 +1    24    23    22
  H     1.09993789 +1  111.3869582 +1   32.6578849 +1    25    20     2
  H     1.09976549 +1  111.7430783 +1  121.1525682 +1    25    20    30
  H     1.11133319 +1  108.8812790 +1  119.4072538 +1    25    20    31
  H     1.10068595 +1  111.7800842 +1  153.3984174 +1    26    21    20
  H     1.11121586 +1  109.0579310 +1  119.8128703 +1    26    21    33
  H     1.10135889 +1  111.5686266 +1  119.7359902 +1    26    21    34
  H     1.07981664 +1  126.3027797 +1 -122.0580928 +1     2     1    20
  H     1.11922997 +1  155.2191219 +1   72.3860812 +1     7     1    22
  H     1.11919649 +1  110.7133612 +1  135.2000062 +1    10     9     3
  C     1.42946693 +1   35.9795980 +1   -6.0298675 +1     5     2     6