Accuracy

Lu(III)O4Cl3 (EWIQIK) r   7190 Lu(III)O4Cl3 (EWIQIK) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  7200 Lutetium complex, CCDC: BORQEE (Geo)C48H42N8O6Lu2


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)O4Cl3 (EWIQIK)
 <Lu-Cl> <><Cl-Lu-Cl> <Lu-O> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.55750900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.46342727 +1   90.5248810 +1    0.0000000 +0     1     2     0
  O     2.34871700 +1   85.0745587 +1  -73.5116309 +1     1     2     3
  C     3.06223917 +1   72.3197555 +1 -140.4986658 +1     2     1     3
  H     1.10114137 +1   68.9816213 +1  -94.4924110 +1     5     2     1
  H     1.10114096 +1   69.5141906 +1 -120.0714493 +1     5     2     6
  H     1.09726170 +1  113.0604287 +1  178.2435146 +1     5     7     2
  O     1.43270974 +1   68.5667332 +1   22.5480841 +1     5     2     1
  C     1.44032645 +1  111.2902362 +1  112.1659020 +1     9     5     2
  H     1.11165592 +1  110.3783332 +1   29.0325773 +1    10     9     5
  H     1.11617021 +1  107.4796678 +1 -119.6049949 +1    10     9    11
  C     1.52807761 +1  105.2203301 +1 -120.5064909 +1    10     9    12
  H     1.11186055 +1  110.9994164 +1  173.3348158 +1    13    10     9
  H     1.11166061 +1  112.0379405 +1  124.7311796 +1    13    10    14
  O     1.43037881 +1  105.5526405 +1  116.3253607 +1    13    10    15
  C     1.43637466 +1  111.3925779 +1  162.6364485 +1    16    13    10
  H     1.10348985 +1  106.0882192 +1  175.1141777 +1    17    16    13
  H     1.09796397 +1  109.5343547 +1 -117.2653808 +1    17    16    18
  H     1.09855695 +1  108.5180972 +1 -125.0711569 +1    17    16    19
  C     1.42507366 +1  124.7878335 +1  168.6028153 +1     4     1     2
  H     1.10338323 +1  104.4516408 +1  -40.8792592 +1    21     4     1
  H     1.09915730 +1  108.9074717 +1 -117.4650338 +1    21     4    22
  H     1.09675183 +1  110.6759523 +1 -125.1238404 +1    21     4    23
  C     1.42070206 +1  109.4164710 +1  140.8784615 +1     4     1    21
  H     1.11097248 +1  111.0608414 +1 -172.9943459 +1    25     4     1
  H     1.11789285 +1  103.7195127 +1 -116.4185049 +1    25     4    26
  C     1.52971982 +1  109.0789468 +1 -120.3897429 +1    25     4    27
  H     1.11020609 +1  111.1730356 +1  162.3693490 +1    28    25     4
  H     1.11082856 +1  110.9186292 +1  124.6123508 +1    28    25    29
  O     1.43910673 +1  107.6353335 +1  117.6054540 +1    28    25    30
  C     1.43637618 +1  109.8608826 +1 -174.8576742 +1    31    28    25
  H     1.10109198 +1  106.0660343 +1  177.5315547 +1    32    31    28
  H     1.10156093 +1  110.0766914 +1 -116.9330884 +1    32    31    33
  H     1.09903983 +1  108.8317354 +1 -124.0133742 +1    32    31    34
 Cl     2.51306081 +1  155.2021218 +1  -62.7080798 +1     1     2     4