Accuracy

La_(YUCXAV) r   6404 Lanthanum complex, CCDC: YUCXAV (Geo)

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    #  Species Formula
  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
  6408 Lanthanum complex, CCDC: MILWEJ (Geo)C12H28N7O11La
  6409 Lanthanum complex, CCDC: APBNLA (Geo)C23H21N8O11La
  6410 Lanthanum complex, CCDC: DUBWEC (Geo)C13H14N9O11La
  6411 La(III)O9(3-) (PEWJIK) (Geo)C12H18O12La
  6412 La(III)O9(3-) (PEWJIK)C12H18O12La
  6413 Lanthanum complex, CCDC: XALSOS (Geo)C18H24N4O12La
  6414 Lanthanum complex, CCDC: GOZBIG (Geo)H8N3O13La


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=2.0
Lanthanum complex, CCDC: YUCXAV
 <La-O2> <La-O3> <> <La-O4> <> <> <La-O5> <> <> <La-O6> <> <> <La-O7> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.52280009 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.57009986 +1   84.8959041 +1    0.0000000 +0     1     2     0
  O     2.57080000 +1  141.3146889 +1  -61.7940399 +1     1     2     3
  O     2.57410001 +1   81.8048310 +1 -165.0820592 +1     1     2     3
  O     2.58379982 +1   82.8663607 +1  -80.7880932 +1     1     2     3
  O     2.61389964 +1   94.6205270 +1  113.2973792 +1     1     2     3
  O     2.17233938 +1   55.9010982 +1 -138.0619925 +1     4     1     2
  O     3.15993088 +1  121.5299678 +1   61.3845699 +1     1     2     3
  O     3.81001935 +1   78.6661968 +1   43.8911965 +1     1     2     3
  O     2.90505134 +1   78.4882359 +1  -29.9269587 +1     7     1     2
  N     1.31720546 +1   32.0143224 +1 -175.2683376 +1     8     4     1
  O     1.18679634 +1  119.9699481 +1 -179.8334172 +1    12     8     4
  C     1.41569796 +1  127.3175002 +1  -56.8633367 +1     9     1     2
  C     1.42196958 +1  115.4411175 +1  153.8068537 +1    10     1     2
  C     1.41140715 +1  114.9255934 +1   13.3111149 +1    10     1     2
  C     1.42824633 +1  120.7571606 +1 -125.5081634 +1    11     7     1
  C     1.41313216 +1   55.6317255 +1  132.9350454 +1    11     7     1
  C     1.43299566 +1  134.1109969 +1  -19.2661823 +1     7     1     2
  C     1.43052277 +1  108.9391664 +1 -173.6531149 +1     7     1     2
  C     1.42029198 +1  111.6222740 +1   94.3316214 +1     9     1     2
  H     1.11043008 +1  102.1090278 +1  -49.7877684 +1    14     9     1
  H     1.11066554 +1  110.5871613 +1 -164.7393456 +1    14     9     1
  H     1.10280754 +1  109.6250889 +1  -87.6663495 +1    15    10     1
  H     1.11067715 +1  108.7117433 +1  152.7239471 +1    15    10     1
  H     1.10938260 +1  102.3952410 +1  -61.5293991 +1    16    10     1
  H     1.11020980 +1  111.1934657 +1 -177.6594796 +1    16    10     1
  H     1.10318730 +1  110.5952339 +1  -28.2876778 +1    17    11     7
  H     1.11060289 +1  107.2632730 +1 -147.5798348 +1    17    11     7
  H     1.10701104 +1  103.9099411 +1  -91.4515435 +1    18    11     7
  H     1.11515793 +1  110.4428667 +1  154.0811101 +1    18    11     7
  H     1.10761074 +1  108.7542201 +1 -104.4655535 +1    19     7     1
  H     1.11374877 +1  106.4051268 +1  137.3248513 +1    19     7     1
  H     1.11015669 +1  104.2196463 +1  -39.5911228 +1    20     7     1
  H     1.11361828 +1  109.4301767 +1 -153.6823575 +1    20     7     1
  H     1.10473112 +1  110.7698851 +1 -115.7771019 +1    21     9     1
  H     1.11446731 +1  107.5534849 +1  125.3905687 +1    21     9     1
  H     0.96945803 +1  138.2332307 +1  -19.0475700 +1     6     1     2
  H     0.98313419 +1  116.9365221 +1  163.3555088 +1     6     1     2
  H     0.96945206 +1  140.1839070 +1   -7.4791248 +1     5     1     2
  H     0.98210143 +1  114.7215006 +1  175.6612229 +1     5     1     2
  H     0.97164424 +1  140.8889385 +1   92.0744197 +1     2     1     3
  H     0.98709010 +1  111.7261630 +1  -71.8910750 +1     2     1     3
  H     0.98551428 +1  111.8537339 +1   80.7000815 +1     3     1     2
  H     0.96902682 +1  138.3465061 +1 -120.1560346 +1     3     1     2