Accuracy

La_(MILWEJ) r   6408 Lanthanum complex, CCDC: MILWEJ (Geo)

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    #  Species Formula
  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
  6415 Lanthanum complex, CCDC: LIWQEN (Geo)C26H38N5O13La
  6416 Lanthanum complex, CCDC: PUZHOH (Geo)C28H34N11O13La
  6417 Lanthanum complex, CCDC: ABXALA (Geo)C20H20O14La
  6418 La(III)O11 (POHDUL) (Geo)C8H18N3O14La


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
Lanthanum complex, CCDC: MILWEJ
 <La-O2> <> <> <La-O4> <> <> <La-O5> <> <> <La-O6> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.66602833 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.16108716 +1   90.0697000 +1    0.0000000 +0     2     1     0
  O     2.70872341 +1  140.7721006 +1  -82.3232885 +1     1     2     3
  O     2.72279954 +1   79.6119201 +1   69.2148738 +1     1     2     3
  O     2.72842942 +1  140.1391427 +1  117.0767750 +1     1     2     3
  O     2.14860032 +1  130.4303771 +1 -179.3474726 +1     4     1     2
  O     2.15023685 +1  120.7017616 +1   81.3351651 +1     6     1     2
  N     2.06590813 +1  131.0882187 +1   18.7180876 +1     1     2     3
  N     2.06632395 +1   97.9777601 +1 -145.5871191 +1     1     2     3
  O     4.36023653 +1   72.1407726 +1  -96.8003177 +1     1     2     3
  N     2.04899021 +1   79.7216529 +1  -52.4239881 +1     1     2     3
  N     2.58819869 +1   45.6730349 +1   78.7712337 +1     5     1     2
  N     1.23792958 +1   31.3825831 +1 -118.0087040 +1     3     2     1
  N     1.21434429 +1   32.1354793 +1  104.2714031 +1     7     4     1
  N     1.23007956 +1   32.2064544 +1  179.6226388 +1     8     6     1
  O     1.22458545 +1  122.8333616 +1 -179.8694884 +1    14     3     2
  O     1.23029093 +1  126.4442242 +1 -177.8225985 +1    15     7     4
  O     1.21655908 +1  124.8664940 +1  175.8177098 +1    16     8     6
  C     1.53372697 +1  112.0193447 +1  -73.2953349 +1     9     1     2
  H     1.12600269 +1  108.8985879 +1  -92.7066417 +1    20     9     1
  H     1.11042865 +1  112.2531218 +1  150.8247532 +1    20     9     1
  C     1.52884267 +1  110.2886341 +1  111.6083765 +1    12     1     2
  H     1.11918496 +1  109.2131209 +1  -78.1990883 +1    23    12     1
  H     1.11190953 +1  111.2085951 +1  164.3317999 +1    23    12     1
  C     1.51495461 +1  126.3312845 +1  -23.7424366 +1    12     1     2
  H     1.11511117 +1  111.0212283 +1  117.2740748 +1    26    12     1
  H     1.12239688 +1  109.9170121 +1    3.5903302 +1    26    12     1
  C     1.41057085 +1   74.5831431 +1   85.7692318 +1    11     1     2
  H     1.11225799 +1  100.9434847 +1 -148.9392212 +1    29    11     1
  H     1.10447155 +1  110.5342576 +1   96.5851698 +1    29    11     1
  C     1.41231320 +1   59.0342958 +1 -138.1631605 +1    11     1     2
  H     1.10606411 +1  113.5179192 +1  -77.5754820 +1    32    11     1
  H     1.11235930 +1  101.8938807 +1  168.3076624 +1    32    11     1
  C     1.52548055 +1  116.7025995 +1   36.7832915 +1    10     1     2
  H     1.11848812 +1  109.8283491 +1  -33.9670785 +1    35    10     1
  H     1.11541746 +1  110.1633694 +1 -149.0128052 +1    35    10     1
  C     1.52867495 +1  111.2747927 +1  -87.2559528 +1    10     1     2
  H     1.13240335 +1  108.5802802 +1  -84.1511677 +1    38    10     1
  H     1.11098291 +1  112.3570113 +1  160.1650868 +1    38    10     1
  C     1.52308526 +1  172.3124117 +1 -115.7992672 +1    13     5     1
  H     1.11517742 +1  109.4263074 +1   27.9450370 +1    41    13     5
  H     1.11407845 +1  111.3387834 +1  -90.1986050 +1    41    13     5
  C     1.50776252 +1   65.3748749 +1 -144.9362914 +1    13     5     1
  H     1.11295412 +1  111.2644916 +1 -138.0362194 +1    44    13     5
  H     1.12452997 +1  109.3569430 +1  105.1646957 +1    44    13     5
  C     1.41706293 +1  113.9948479 +1   61.0059292 +1     5     1     2
  H     1.11521880 +1  103.9110933 +1 -120.8041030 +1    47     5     1
  H     1.10242211 +1  112.2886498 +1  121.2001382 +1    47     5     1
  C     1.42392284 +1  102.6119569 +1 -173.8610439 +1     5     1     2
  H     1.11119075 +1  112.1749919 +1  -70.2609925 +1    50     5     1
  H     1.10828849 +1  108.6259746 +1  169.6015955 +1    50     5     1
  C     1.52072585 +1  122.8075705 +1   55.3905952 +1     9     1     2
  H     1.11819197 +1  109.1308809 +1  -91.2376552 +1    53     9     1
  H     1.11699368 +1  109.7599841 +1  150.9167302 +1    53     9     1
  H     1.07865838 +1   97.2473247 +1 -139.5017665 +1    12     1     2
  H     1.07654802 +1  100.2131472 +1  173.9620000 +1     9     1     2
  H     1.08326604 +1   79.9072699 +1  100.4155404 +1    13     5     1
  H     1.07643701 +1  108.0620275 +1  157.2315945 +1    10     1     2