Accuracy

Lu(III)(H2O)9(3plus) (BUVVUJ) r   7166 Lu(III)(H2O)9(3+) (BUVVUJ) (Geo)

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    #  Species Formula
  7156 Lu(III)O6 (LUTMHP)a (Geo)C33H57O6Lu
  7157 Lutetium complex, CCDC: XEWWAX (Geo)C10H20N2O6Lu
  7158 Lutetium complex, CCDC: XEWREW (Geo)C19H21N3O6Lu
  7159 Lutetium complex, CCDC: NIJHAP (Geo)C21H17N4O7Lu
  7160 Lutetium complex, CCDC: FOPPOP (Geo)H16O8Lu
  7161 Lutetium complex, CCDC: XAWVAS (Geo)C15H15N5O8Lu
  7162 LuN3O6 (BAGBUH) (Geo)C20H18N5O8Lu
  7163 LuN3O6 (BAGBUH)C20H18N5O8Lu
  7164 Lutetium complex, CCDC: BAGBUH (Geo)C20H18N5O8Lu
  7165 Lu(III)O8(3+) (QAKXAB) (Geo)C32H64N8O8Lu
  7166 Lu(III)(H2O)9(3+) (BUVVUJ) (Geo) H18O9Lu
  7167 Lu(III)(H2O)9(3+) (BUVVUJ)H18O9Lu
  7168 Lutetium complex, CCDC: BUVVUJ (Geo)H18O9Lu
  7169 Lutetium complex, CCDC: PUDTIR (Geo)C28H36N5O9Lu
  7170 Lutetium complex, CCDC: EFIZEY (Geo)C15H11N6O9Lu
  7171 Lutetium complex, CCDC: RADRIX (Geo)C20H16N7O9Lu
  7172 Lutetium complex, CCDC: RADROD (Geo)C24H16N7O9Lu
  7173 Lutetium complex, CCDC: EFIZOI (Geo)C17H17N6O10Lu
  7174 Lutetium complex, CCDC: POHDIZ (Geo)C2H7N4O11Lu
  7175 Lu(III)O8(-) (OGEYEE) (Geo)C8H12O12Lu
  7176 Lu(III)O8(-) (OGEYEE)C8H12O12Lu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=3 PM7
Lu(III)(H2O)9(3+) (BUVVUJ)
 <Lu-O> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.50988200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.98169340 +1  130.3798908 +1    0.0000000 +0     2     1     0
  O     2.25048050 +1   69.2599599 +1  102.2072443 +1     1     2     3
  H     0.99965488 +1  118.9914099 +1 -121.2775873 +1     4     1     2
  H     0.99854941 +1  117.7446964 +1  121.9085265 +1     4     1     5
  O     2.28691851 +1  119.6470228 +1  127.8103135 +1     1     2     4
  O     2.37596827 +1   92.8273511 +1  -10.8266818 +1     5     4     1
  O     2.29965674 +1   67.1851225 +1  -49.8724765 +1     1     2     7
  O     2.28351454 +1  133.3302391 +1  -42.5866531 +1     1     2     9
  O     2.28991594 +1   69.3382907 +1 -138.6179598 +1     1     2    10
  O     2.25341121 +1   68.5337292 +1  -76.5258788 +1     1     2    11
  O     2.27648833 +1  132.9899482 +1   35.0356510 +1     1     2    12
  H     0.98276454 +1  127.3812688 +1  178.7266769 +1     2     1     3
  H     0.99172331 +1  126.5795873 +1  135.5125924 +1     7     1     2
  H     0.98835800 +1  128.5555907 +1  156.6872000 +1     7     1    15
  H     0.99029917 +1  125.5868840 +1  135.0457939 +1     8     5     4
  H     0.99301196 +1   97.8941483 +1  110.5635578 +1     8     5    17
  H     0.98696636 +1  133.7154018 +1   79.9255677 +1     9     1     2
  H     0.99005785 +1  124.3909107 +1  173.5429303 +1     9     1    19
  H     0.98925671 +1  128.4839255 +1  130.7429772 +1    10     1     2
  H     0.99157329 +1  125.1398517 +1 -150.8476981 +1    10     1    21
  H     0.98898206 +1  131.0981935 +1   76.7767617 +1    11     1     2
  H     0.99250072 +1  122.8911676 +1 -151.3465537 +1    11     1    23
  H     0.99755599 +1  118.8460271 +1  -23.3579985 +1    12     1     2
  H     0.99882628 +1  119.2263713 +1 -123.3799669 +1    12     1    25
  H     0.99116230 +1  126.4264235 +1  151.1871636 +1    13     1     2
  H     0.99385870 +1  122.3960778 +1 -139.0902786 +1    13     1    27