Accuracy

Lu(III)O8(3plus) (QAKXAB) r   7165 Lu(III)O8(3+) (QAKXAB) (Geo)

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    #  Species Formula
  7155 Lu(III)O6 (LUTMHP)aC15H21O6Lu
  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


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 PULAY PM7
Lu(III)O8(3+) (QAKXAB)
 <Lu-O> <Lu-O><O-Lu-O> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.28682500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.37775100 +1   74.2760780 +1    0.0000000 +0     1     2     0
  O    -1.67578927 +1    1.2358810 +1    0.4481380 +1     0     0     0
  O     0.47420492 +1    0.4785354 +1    2.0340783 +1     0     0     0
  N     3.64777917 +1   -1.0839407 +1   -1.4236829 +1     0     0     0
  N     1.96681245 +1    4.0729709 +1   -0.3229477 +1     0     0     0
  N    -1.91896667 +1    3.4813378 +1    0.5253804 +1     0     0     0
  N     2.14584354 +1    1.7536709 +1    2.8657977 +1     0     0     0
  C     2.99977489 +1    0.0380803 +1   -1.0208118 +1     0     0     0
  C     3.31064518 +1    1.3690368 +1   -1.6797856 +1     0     0     0
  H     3.86532185 +1    1.2362106 +1   -2.6416313 +1     0     0     0
  H     4.01671643 +1    1.9102899 +1   -0.9984423 +1     0     0     0
  C     2.07558440 +1    2.2166309 +1   -1.9488726 +1     0     0     0
  H     2.30310793 +1    3.0004303 +1   -2.7179490 +1     0     0     0
  H     1.27658742 +1    1.6073627 +1   -2.4318028 +1     0     0     0
  C     1.51289109 +1    2.8414904 +1   -0.6944115 +1     0     0     0
  C     3.52772911 +1   -2.3334954 +1   -0.6733790 +1     0     0     0
  H     2.71691235 +1   -2.2760616 +1    0.0789942 +1     0     0     0
  H     4.47843719 +1   -2.5528591 +1   -0.1418566 +1     0     0     0
  H     3.28104632 +1   -3.1731431 +1   -1.3500267 +1     0     0     0
  C     4.58510859 +1   -1.1061364 +1   -2.5529324 +1     0     0     0
  H     5.47312779 +1   -0.4742334 +1   -2.3488522 +1     0     0     0
  H     4.10223189 +1   -0.7761731 +1   -3.4888623 +1     0     0     0
  H     4.96186295 +1   -2.1352818 +1   -2.7275414 +1     0     0     0
  C     1.31175545 +1    4.8506565 +1    0.7278721 +1     0     0     0
  H     0.47474286 +1    4.2958946 +1    1.1805185 +1     0     0     0
  H     0.89775184 +1    5.7935677 +1    0.3099428 +1     0     0     0
  H     2.04163582 +1    5.1125259 +1    1.5194973 +1     0     0     0
  C     2.98003798 +1    4.8070642 +1   -1.0929030 +1     0     0     0
  H     2.55505910 +1    5.2249216 +1   -2.0264713 +1     0     0     0
  H     3.84561257 +1    4.1676643 +1   -1.3383464 +1     0     0     0
  H     3.37417596 +1    5.6579370 +1   -0.4984338 +1     0     0     0
  C    -1.70050532 +1    2.2877152 +1    1.1255841 +1     0     0     0
  C    -1.59959827 +1    2.1787178 +1    2.6364535 +1     0     0     0
  H    -1.85867306 +1    1.1347635 +1    2.9304335 +1     0     0     0
  H    -2.35751549 +1    2.8282512 +1    3.1426227 +1     0     0     0
  C    -0.19384129 +1    2.5168658 +1    3.1134335 +1     0     0     0
  H     0.07688876 +1    3.5568991 +1    2.8114248 +1     0     0     0
  H    -0.16619905 +1    2.5057044 +1    4.2359883 +1     0     0     0
  C     0.84114589 +1    1.5406092 +1    2.5853105 +1     0     0     0
  C    -2.32187372 +1    4.6749758 +1    1.2825382 +1     0     0     0
  H    -3.37034534 +1    4.5834645 +1    1.6355986 +1     0     0     0
  H    -2.27808719 +1    5.5768702 +1    0.6370004 +1     0     0     0
  H    -1.66553405 +1    4.8599052 +1    2.1480165 +1     0     0     0
  C    -1.98136399 +1    3.6029240 +1   -0.9316722 +1     0     0     0
  H    -1.44291974 +1    2.7752761 +1   -1.4336034 +1     0     0     0
  H    -1.49565816 +1    4.5425586 +1   -1.2598924 +1     0     0     0
  H    -3.03196277 +1    3.5883058 +1   -1.2842871 +1     0     0     0
  C     2.60173000 +1    2.9344884 +1    3.6135719 +1     0     0     0
  H     2.12664936 +1    3.8643380 +1    3.2610963 +1     0     0     0
  H     3.69804113 +1    3.0698904 +1    3.4992431 +1     0     0     0
  H     2.39545440 +1    2.8084772 +1    4.6969251 +1     0     0     0
  C     3.20373177 +1    0.8526483 +1    2.4130882 +1     0     0     0
  H     2.80202412 +1   -0.1383706 +1    2.1316806 +1     0     0     0
  H     3.95221601 +1    0.7039674 +1    3.2213718 +1     0     0     0
  H     3.70164925 +1    1.2538139 +1    1.5108676 +1     0     0     0
  O    -0.10818885 +1   -1.8543768 +1    1.0640809 +1     0     0     0
  C    -0.40347202 +1   -1.7705388 +1    2.2807509 +1     0     0     0
  N     0.52862572 +1   -2.1149892 +1    3.2057665 +1     0     0     0
  C     1.90378217 +1   -2.4171164 +1    2.8048535 +1     0     0     0
  H     2.14590387 +1   -2.0021628 +1    1.8061572 +1     0     0     0
  H     2.03778973 +1   -3.5198260 +1    2.7607930 +1     0     0     0
  H     2.63349813 +1   -1.9951557 +1    3.5235914 +1     0     0     0
  C     0.28298358 +1   -1.9584050 +1    4.6439022 +1     0     0     0
  H    -0.66346521 +1   -2.4478971 +1    4.9442276 +1     0     0     0
  H     0.25527056 +1   -0.8965199 +1    4.9423938 +1     0     0     0
  H     1.08843850 +1   -2.4557522 +1    5.2271515 +1     0     0     0
  C    -1.84495152 +1   -1.5883711 +1    2.7101802 +1     0     0     0
  H    -1.89687603 +1   -0.8104525 +1    3.5114625 +1     0     0     0
  H    -2.18412640 +1   -2.5483332 +1    3.1879670 +1     0     0     0
  C    -2.80972654 +1   -1.2132258 +1    1.5877518 +1     0     0     0
  H    -3.85087112 +1   -1.5330292 +1    1.8630240 +1     0     0     0
  H    -2.89288562 +1   -0.1004045 +1    1.4938956 +1     0     0     0
  C    -2.43339105 +1   -1.7514779 +1    0.2254353 +1     0     0     0
  O    -1.79489720 +1   -1.0651193 +1   -0.6040160 +1     0     0     0
  O    -0.54547561 +1    0.8374393 +1   -1.8731636 +1     0     0     0
  C    -0.92880819 +1    0.1318865 +1   -2.8386157 +1     0     0     0
  N    -2.23954202 +1    0.0734327 +1   -3.1616888 +1     0     0     0
  C    -2.72406683 +1   -0.6335214 +1   -4.3546280 +1     0     0     0
  H    -2.10275295 +1   -0.4058050 +1   -5.2418678 +1     0     0     0
  H    -3.75625924 +1   -0.2981919 +1   -4.6023049 +1     0     0     0
  H    -2.75857413 +1   -1.7248846 +1   -4.2013085 +1     0     0     0
  C    -3.28854577 +1    0.5785127 +1   -2.2747351 +1     0     0     0
  H    -2.87673366 +1    1.0579207 +1   -1.3663771 +1     0     0     0
  H    -3.93303326 +1   -0.2474568 +1   -1.9203094 +1     0     0     0
  H    -3.90083178 +1    1.3348660 +1   -2.8108269 +1     0     0     0
  C     0.13134602 +1   -0.4657526 +1   -3.7517255 +1     0     0     0
  H     1.11668789 +1   -0.0164541 +1   -3.4792715 +1     0     0     0
  H    -0.05119260 +1   -0.1684077 +1   -4.8156248 +1     0     0     0
  C     0.20979341 +1   -1.9808113 +1   -3.6150606 +1     0     0     0
  H    -0.71999854 +1   -2.4613882 +1   -3.9992922 +1     0     0     0
  H     1.04075303 +1   -2.3730608 +1   -4.2582714 +1     0     0     0
  C     0.45719304 +1   -2.3798641 +1   -2.1737394 +1     0     0     0
  O     0.74932039 +1   -1.5091237 +1   -1.3355673 +1     0     0     0
  N     0.44323607 +1   -3.6908977 +1   -1.8318875 +1     0     0     0
  C     0.21505836 +1   -4.7427282 +1   -2.8321278 +1     0     0     0
  H    -0.73852136 +1   -4.6054603 +1   -3.3711158 +1     0     0     0
  H     0.18007164 +1   -5.7430015 +1   -2.3518357 +1     0     0     0
  H     1.04425568 +1   -4.7686227 +1   -3.5676637 +1     0     0     0
  C     0.54616630 +1   -4.1183385 +1   -0.4371039 +1     0     0     0
  H     1.18198905 +1   -3.4301950 +1    0.1519147 +1     0     0     0
  H     0.98526660 +1   -5.1351957 +1   -0.3700868 +1     0     0     0
  H    -0.44545251 +1   -4.1054600 +1    0.0542265 +1     0     0     0
  N    -2.91730510 +1   -2.9575360 +1   -0.1761905 +1     0     0     0
  C    -2.82182921 +1   -3.3944512 +1   -1.5689553 +1     0     0     0
  H    -2.25158297 +1   -2.6782791 +1   -2.1816312 +1     0     0     0
  H    -3.84095574 +1   -3.4844776 +1   -2.0059801 +1     0     0     0
  H    -2.32077337 +1   -4.3806236 +1   -1.6315544 +1     0     0     0
  C    -3.66814276 +1   -3.8483946 +1    0.7177341 +1     0     0     0
  H    -4.71535480 +1   -3.5026018 +1    0.8369774 +1     0     0     0
  H    -3.19300677 +1   -3.9262903 +1    1.7099042 +1     0     0     0
  H    -3.70509820 +1   -4.8760331 +1    0.2989572 +1     0     0     0