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Lu(III)(Cp)2BrN2 (HAFWIU) r   7193 Lu(III)(Cp)2BrN2 (HAFWIU) (Geo)

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    #  Species Formula
  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
  7200 Lutetium complex, CCDC: BORQEE (Geo)C48H42N8O6Lu2
  7201 Lutetium complex, CCDC: XECRIG (Geo)C30H36N6O8Lu2
  7202 Lutetium complex, CCDC: XEWRAS (Geo)C36H34N4O12Lu2
  7203 Lutetium complex, CCDC: QQQENA01 (Geo)C12H26O16Lu2


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(III)(Cp)2BrN2 (HAFWIU)
 <Lu-Br> <Lu-N><N-Lu-Br> <Lu-C> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.76700000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.50182600 +1   72.0988620 +1    0.0000000 +0     1     2     0
  C     2.58845600 +1  129.7396175 +1  -68.6924347 +1     1     2     3
  C     2.46532654 +1  148.4008572 +1  177.9881546 +1     3     1     2
  C     1.39496854 +1  115.1172943 +1  114.9154350 +1     5     3     1
  C     1.39347658 +1  119.6903229 +1  139.5523785 +1     6     5     3
  C     1.39403695 +1  120.0909528 +1    0.0421504 +1     7     6     5
  C     1.39410512 +1  120.0626246 +1    0.1753264 +1     8     7     6
  C     1.39326317 +1  120.0726076 +1   -0.1525290 +1     9     8     7
  C     1.43054497 +1   73.0815924 +1 -108.2137288 +1     4     1     2
  C     1.42962307 +1   77.1296901 +1  113.3382870 +1     4     1    11
  C     1.42170129 +1  108.2765858 +1  -66.8009234 +1    12     4     1
  C     1.42334373 +1  108.0266345 +1   -1.0622311 +1    13    12     4
  N     2.59033030 +1   68.1634579 +1 -111.4231547 +1     1     2     4
  C     2.57109993 +1  132.7100531 +1 -107.4998702 +1     1     2    15
  C     1.43216271 +1   72.8440700 +1   95.6016278 +1    16     1     2
  C     1.43194618 +1  107.6311257 +1  -71.2125101 +1    17    16     1
  C     1.42096979 +1  108.2370301 +1    0.7365704 +1    18    17    16
  C     1.42273779 +1  108.0657042 +1   -1.1887872 +1    19    18    17
  C     1.49602213 +1  112.9762087 +1 -176.5843021 +1    15     1     2
  C     1.50658588 +1  110.5004094 +1 -174.1953218 +1    21    15     1
  C     1.39505749 +1  119.7949006 +1  -89.7775068 +1    22    21    15
  C     1.39502891 +1  119.8546478 +1  178.9698209 +1    22    21    23
  C     1.39335054 +1  119.7132006 +1  178.7430750 +1    23    22    21
  C     1.39341499 +1  119.7263928 +1 -178.7366268 +1    24    22    21
  C     1.39406564 +1  120.0922674 +1    0.0514368 +1    25    23    22
  H     1.08884183 +1  120.4071106 +1  179.6863322 +1     6     5     7
  H     1.08913171 +1  119.9207942 +1  179.9696947 +1     7     6     8
  H     1.08898023 +1  119.9684097 +1  179.9335048 +1     8     7     9
  H     1.08919016 +1  120.0131581 +1  179.9418965 +1     9     8    10
  H     1.08886841 +1  119.8844050 +1  179.5675779 +1    10     9     8
  H     1.07791465 +1  125.4974247 +1 -118.8655591 +1    11     4     1
  H     1.07684573 +1  123.0499280 +1  125.0529054 +1     4     1    12
  H     1.07491763 +1  125.9201545 +1 -171.1602256 +1    12     4    13
  H     1.07703996 +1  125.7622713 +1 -173.2380942 +1    13    12    14
  H     1.07529368 +1  125.2951039 +1 -168.9705785 +1    14    13    12
  H     1.03136508 +1  107.5068854 +1 -121.2089836 +1    15     1    21
  H     1.07783147 +1  122.2306534 +1  121.5336863 +1    16     1    17
  H     1.07802668 +1  125.3882285 +1 -170.2241571 +1    17    16    18
  H     1.07554808 +1  125.9232396 +1 -171.1570448 +1    18    17    19
  H     1.07658757 +1  125.7016486 +1 -173.5153078 +1    19    18    20
  H     1.07448118 +1  125.2637658 +1 -169.4485809 +1    20    19    18
  H     1.11620364 +1  109.0884108 +1  122.9652060 +1    21    15    22
  H     1.11602189 +1  108.9458698 +1  114.0310151 +1    21    15    44
  H     1.08879561 +1  120.4003842 +1  179.6729114 +1    23    22    25
  H     1.08888275 +1  120.3942376 +1 -179.6641332 +1    24    22    26
  H     1.08901145 +1  119.9228648 +1  179.9481364 +1    25    23    27
  H     1.08907604 +1  119.9197557 +1 -179.9955838 +1    26    24    22
  H     1.08885502 +1  119.9742004 +1 -179.9386479 +1    27    25    23
  H     1.03427760 +1  110.0433428 +1  127.9716170 +1     3     1     5
  H     1.03468489 +1  108.3087752 +1  115.2421149 +1     3     1    51
  H     2.14070511 +1   97.6891715 +1  147.7953923 +1     3     1    52
  H     1.77127782 +1   65.6436009 +1  -88.9592521 +1    53     3     1
  H     1.03077620 +1  110.5897355 +1 -115.5816477 +1    15     1    38
  C     1.11667574 +1   37.5001840 +1  -40.3489243 +1    54    53     3