Accuracy

La_(BUVVIX01) r   6397 Lanthanum complex, CCDC: BUVVIX01 (Geo)

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    #  Species Formula
  6387 La(II)(H2O)6 (Geo)H12O6La
  6388 La(III)O8 (AQACAL) (Geo)C15H21O6La
  6389 Lanthanum complex, CCDC: XECQEB (Geo)C15H23N3O6La
  6390 Lanthanum complex, CCDC: NASTOQ (Geo)C26H28N8O6La
  6391 Lanthanum complex, CCDC: RIDROL (Geo)H43BC36N11O6La
  6392 Lanthanum complex, CCDC: OFEGIP (Geo)C36H40N8O7La
  6393 Lanthanum complex, CCDC: RIDQUQ (Geo)C40H44B2N13O7La
  6394 La(III)O8 (AQACAL)C15H25O8La
  6395 Lanthanum complex, CCDC: MENQOL (Geo)C24H20N6O8La
  6396 Lanthanum complex, CCDC: QAKWEE (Geo)C32H64N8O8La
  6397 Lanthanum complex, CCDC: BUVVIX01 (Geo) H18O9La
  6398 Lanthanum complex, CCDC: PUHYAS (Geo)C15H17N5O9La
  6399 Lanthanum complex, CCDC: PAFNEP (Geo)C24H16N7O9La
  6400 Lanthanum complex, CCDC: WAVNAI (Geo)C35H42N7O9La
  6401 Lanthanum complex, CCDC: EPAILA (Geo)C22H26N9O9La
  6402 Lanthanum complex, CCDC: NOHNIH (Geo)C22H34N2O10La
  6403 Lanthanum complex, CCDC: DUCBOS (Geo)C13H12N9O10La
  6404 Lanthanum complex, CCDC: YUCXAV (Geo)C8H24NO11La
  6405 Lanthanum complex, CCDC: ZAMHEA (Geo)C10H18N2O11La
  6406 Lanthanum complex, CCDC: JIJFIR (Geo)C10H12N5O11La
  6407 Lanthanum complex, CCDC: XAWVUM (Geo)C17H19N6O11La


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES CHARGE=3.0
Lanthanum complex, CCDC: BUVVIX01
 <La-O2> <La-O2> <> <La-O4> <> <> <La-O4> <> <> <La-O6> <> <> <La-O6> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.51539993 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.51540010 +1   66.3678904 +1    0.0000000 +0     1     2     0
  O     2.51589379 +1  101.9122647 +1  111.3470999 +1     1     2     3
  O     2.51589960 +1  133.0494403 +1   12.7524419 +1     1     2     3
  O     2.51640036 +1  117.5517631 +1 -100.9904767 +1     1     2     3
  O     2.51640045 +1   89.6216410 +1 -164.9998136 +1     1     2     3
  O     4.36908464 +1   99.8999664 +1    5.0981367 +1     1     2     3
  O     4.37607136 +1  106.2396238 +1 -135.3097258 +1     1     2     3
  O     4.39893814 +1   33.1637554 +1   -2.1791486 +1     1     2     3
  H     0.97863268 +1  128.3136113 +1   81.9949699 +1     8     1     2
  H     0.99092814 +1  128.8808035 +1  -60.7033743 +1     4     1     2
  H     0.99088947 +1  129.2699989 +1  120.9501600 +1     4     1     2
  H     0.97876534 +1  127.1223086 +1 -101.0727130 +1     8     1     2
  H     0.98040608 +1  127.9403195 +1   26.1582099 +1     9     1     2
  H     0.98009226 +1  127.6043187 +1 -153.9534618 +1     9     1     2
  H     0.97881741 +1  128.3311300 +1   87.0580976 +1    10     1     2
  H     0.97859635 +1  127.0444187 +1  -89.8858349 +1    10     1     2
  H     1.01329436 +1  123.0893585 +1  121.3692211 +1     7     1     2
  H     0.98121506 +1  134.2424068 +1  -55.0002220 +1     7     1     2
  H     1.01433474 +1  122.9442950 +1    2.0102155 +1     2     1     3
  H     0.98074383 +1  133.9733149 +1  179.0449070 +1     2     1     3
  H     1.01298042 +1  122.1146988 +1  -13.1634972 +1     5     1     2
  H     0.98075832 +1  134.5780751 +1  167.4454207 +1     5     1     2
  H     1.01122203 +1  124.0336599 +1  -77.5545156 +1     6     1     2
  H     0.98168626 +1  132.7274306 +1  101.0836545 +1     6     1     2
  H     0.99725584 +1  127.8243400 +1   -3.9778492 +1     3     1     2
  H     0.99614470 +1  126.6217294 +1  172.0443413 +1     3     1     2