Accuracy

Lu(0)N8 (XEPLOT) r   7138 Lu(0)N8 (XEPLOT) (Geo)

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    #  Species Formula
  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
  7140 Lutetium complex, CCDC: DICBUM (Geo)C64H32N16Lu
  7141 Lu(Cp)2CO (BTHFLU) (Geo)C16H25OLu
  7142 Lu(Cp)2CO (BTHFLU)C16H25OLu
  7143 Lu(III)(Cp)3O (DEYYOV) (Geo)C19H23OLu
  7144 Lu(III)(Cp)3O (DEYYOV)C19H23OLu
  7145 Lu(III)(Cp)2NO (JENNEV) (Geo)C20H26NOLu
  7146 Lu(III)(Cp)2NO (JENNEV)C20H26NOLu
  7147 Lu(C8)CNO (DELSIW) (Geo)C21H28NOLu
  7148 Lu(C8)CNO (DELSIW)C21H28NOLu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PULAY GNORM=2 PM7
Lu(0)N8 (XEPLOT)
 <Lu-N> <><N-Lu-N> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.42346700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.28959108 +1   67.4521476 +1    0.0000000 +0     1     2     0
  H     3.32385654 +1   -1.4975486 +1   -1.0983430 +1     0     0     0
  C     3.91429299 +1   -1.6067420 +1    1.0147070 +1     0     0     0
  H     4.57371437 +1   -2.4559310 +1    0.8936574 +1     0     0     0
  C     3.76863699 +1   -0.9741519 +1    2.2606981 +1     0     0     0
  H     4.29679193 +1   -1.3680388 +1    3.1307079 +1     0     0     0
  C     2.98743086 +1    0.1525155 +1    2.3759863 +1     0     0     0
  H     2.86626503 +1    0.6823694 +1    3.3166026 +1     0     0     0
  C     2.32721856 +1    0.6623994 +1    1.2148750 +1     0     0     0
  C     1.56525033 +1    1.8675204 +1    1.1890654 +1     0     0     0
  C     1.51049969 +1    2.8033981 +1    2.2676692 +1     0     0     0
  H     2.10743058 +1    2.6034101 +1    3.1538389 +1     0     0     0
  C     0.72712992 +1    3.9260383 +1    2.1464186 +1     0     0     0
  H     0.68002975 +1    4.6591031 +1    2.9541010 +1     0     0     0
  C    -0.01151588 +1    4.1451211 +1    0.9699895 +1     0     0     0
  H    -0.63641414 +1    5.0222877 +1    0.8555006 +1     0     0     0
  C     0.09769489 +1    3.2158612 +1   -0.0681035 +1     0     0     0
  H    -0.41525460 +1    3.3673792 +1   -1.0305899 +1     0     0     0
  N     0.56682358 +1   -3.0016069 +1   -3.2687087 +1     0     0     0
  C     0.42429091 +1   -4.3348001 +1   -3.3776851 +1     0     0     0
  H     1.34447845 +1   -4.8833679 +1   -3.6097609 +1     0     0     0
  C    -0.80341244 +1   -4.9849892 +1   -3.2054194 +1     0     0     0
  H    -0.87036876 +1   -6.0651908 +1   -3.2749657 +1     0     0     0
  C    -1.93151645 +1   -4.2128463 +1   -2.9394182 +1     0     0     0
  H    -2.90520241 +1   -4.6785966 +1   -2.7855032 +1     0     0     0
  C    -1.80623070 +1   -2.8276166 +1   -2.8536639 +1     0     0     0
  H    -2.66936811 +1   -2.2063468 +1   -2.6243679 +1     0     0     0
  C    -0.53054159 +1   -2.2621760 +1   -2.9936863 +1     0     0     0
  C    -0.33637045 +1   -0.7933461 +1   -2.8638633 +1     0     0     0
  C    -1.19011091 +1    0.0847008 +1   -3.5406625 +1     0     0     0
  H    -2.04417722 +1   -0.3023543 +1   -4.0957042 +1     0     0     0
  C    -0.89306746 +1    1.4499837 +1   -3.5387666 +1     0     0     0
  H    -1.56236043 +1    2.1548422 +1   -4.0393035 +1     0     0     0
  C     0.28142812 +1    1.8894303 +1   -2.9516694 +1     0     0     0
  H     0.59776106 +1    2.9321092 +1   -2.9933466 +1     0     0     0
  C     1.11666814 +1    0.9510060 +1   -2.3071808 +1     0     0     0
  H     2.14738039 +1    1.2271505 +1   -1.9738560 +1     0     0     0
  N     0.77954429 +1   -0.3615113 +1   -2.2040712 +1     0     0     0
  N    -0.66170521 +1   -0.0756998 +1    2.1444711 +1     0     0     0
  C     0.12667539 +1   -0.3151482 +1    3.2169236 +1     0     0     0
  H     0.68944480 +1   -1.2602539 +1    3.1807516 +1     0     0     0
  C     0.18626227 +1    0.5321683 +1    4.3242184 +1     0     0     0
  H     0.83151149 +1    0.2943464 +1    5.1614504 +1     0     0     0
  C    -0.62673620 +1    1.6789835 +1    4.3337789 +1     0     0     0
  H    -0.62305368 +1    2.3322376 +1    5.2079089 +1     0     0     0
  C    -1.42162532 +1    1.9693693 +1    3.2506432 +1     0     0     0
  H    -2.06498763 +1    2.8450560 +1    3.2240151 +1     0     0     0
  C    -1.40742097 +1    1.1015704 +1    2.1152463 +1     0     0     0
  C    -2.10935285 +1    1.3826889 +1    0.9027038 +1     0     0     0
  C    -2.71781691 +1    2.6462496 +1    0.6222780 +1     0     0     0
  H    -2.68310220 +1    3.4163692 +1    1.3907927 +1     0     0     0
  C    -3.31316034 +1    2.8608090 +1   -0.5975747 +1     0     0     0
  H    -3.76953898 +1    3.8260146 +1   -0.8273328 +1     0     0     0
  C    -3.36542937 +1    1.8276849 +1   -1.5477285 +1     0     0     0
  H    -3.86526562 +1    1.9632043 +1   -2.4981818 +1     0     0     0
  C    -2.79630038 +1    0.5960761 +1   -1.2170783 +1     0     0     0
  H    -2.91206248 +1   -0.2937589 +1   -1.8594173 +1     0     0     0
  N    -2.16543709 +1    0.3598755 +1   -0.0452144 +1     0     0     0
  N    -0.57117497 +1   -2.1841488 +1   -0.1847880 +1     0     0     0
  C     0.72016630 +1   -2.6022805 +1   -0.1177040 +1     0     0     0
  H     1.31281817 +1   -2.5456346 +1   -1.0650455 +1     0     0     0
  C     1.25241514 +1   -3.2221269 +1    1.0270963 +1     0     0     0
  H     2.30046763 +1   -3.5272242 +1    1.0286350 +1     0     0     0
  C     0.42263891 +1   -3.4611229 +1    2.1123131 +1     0     0     0
  H     0.80312380 +1   -3.9721720 +1    3.0014686 +1     0     0     0
  C    -0.91529836 +1   -3.0819012 +1    2.0432879 +1     0     0     0
  H    -1.61053341 +1   -3.3013638 +1    2.8561733 +1     0     0     0
  C    -1.37839041 +1   -2.4230798 +1    0.8940631 +1     0     0     0
  C    -2.82043301 +1   -2.0723288 +1    0.8022109 +1     0     0     0
  C    -3.45110556 +1   -1.4703519 +1    1.9082100 +1     0     0     0
  H    -2.88144358 +1   -1.2395116 +1    2.8073212 +1     0     0     0
  C    -4.79423263 +1   -1.1257647 +1    1.7982845 +1     0     0     0
  H    -5.30007345 +1   -0.6309007 +1    2.6287935 +1     0     0     0
  C    -5.47704500 +1   -1.4146090 +1    0.6171493 +1     0     0     0
  H    -6.52336296 +1   -1.1512403 +1    0.5012292 +1     0     0     0
  C    -4.78508381 +1   -2.0543627 +1   -0.4149574 +1     0     0     0
  H    -5.27357039 +1   -2.3313719 +1   -1.3565608 +1     0     0     0
  N    -3.47910847 +1   -2.3809392 +1   -0.3325796 +1     0     0     0
  C     3.22020607 +1   -1.0829126 +1   -0.0814094 +1     0     0     0