Accuracy

La_(ABXALA) r   6417 Lanthanum complex, CCDC: ABXALA (Geo)

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    #  Species Formula
  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
  6419 La(III)O11 (POHDUL)C8H18N3O14La
  6420 Lanthanum complex, CCDC: BIZTIN (Geo)C8H18N3O14La
  6421 Lanthanum complex, CCDC: POHDUL (Geo)C8H18N3O14La
  6422 La(III)O11 (CABLAS) (Geo)C10H20N3O14La
  6423 La(III)O11 (CABLAS)C10H20N3O14La
  6424 Lanthanum complex, CCDC: CABLAS01 (Geo)C10H20N3O14La
  6425 Lanthanum complex, CCDC: KIXHAA (Geo)C11H22N3O14La
  6426 Lanthanum complex, CCDC: SIXBIK (Geo)C14H26N3O14La
  6427 Lanthanum complex, CCDC: HEBFUP (Geo)C18H28N3O14La


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=-1.0
Lanthanum complex, CCDC: ABXALA
 <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     2.48570000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.49410000 +1  116.3297177 +1    0.0000000 +0     1     2     0
  O     2.49959968 +1  153.5497791 +1  137.6480266 +1     1     2     3
  O     2.49999962 +1   80.7600517 +1  135.8648539 +1     1     2     3
  O     2.52800021 +1  101.8160894 +1 -127.3027387 +1     1     2     3
  O     2.62179960 +1   57.3994733 +1  -72.7990637 +1     1     2     3
  O     2.74940715 +1   77.5025286 +1  -78.2712542 +1     2     1     3
  O     3.07499514 +1  127.5067662 +1   94.2879703 +1     5     1     2
  O     2.72681005 +1   72.5340326 +1   82.4150980 +1     3     1     2
  O     2.69075663 +1   69.1940000 +1  -23.5670053 +1     9     5     1
  C    -1.76526718 +1    2.7801748 +1   -0.9327333 +1     0     0     0
  O     4.59124481 +1    0.0733268 +1   -0.6496334 +1     0     0     0
  O    -0.23247458 +1   -2.3969383 +1    3.9676387 +1     0     0     0
  C    -1.77863435 +1    2.0565923 +1   -2.3160145 +1     0     0     0
  C    -0.26046524 +1    0.7239203 +1   -3.5635506 +1     0     0     0
  C    -1.20408971 +1    0.3867299 +1   -4.5223819 +1     0     0     0
  C    -0.88430289 +1   -0.5497804 +1   -5.5128306 +1     0     0     0
  C     0.37869457 +1   -1.1208020 +1   -5.5560414 +1     0     0     0
  C     1.34223619 +1   -0.7821173 +1   -4.5994065 +1     0     0     0
  C     1.02641977 +1    0.1221674 +1   -3.5928486 +1     0     0     0
  C     2.96373085 +1   -0.3491283 +1   -2.3276306 +1     0     0     0
  C     3.40122595 +1   -0.0446651 +1   -0.8778781 +1     0     0     0
  O    -2.43895489 +1    3.7894796 +1   -0.8472190 +1     0     0     0
  O    -1.53060758 +1   -2.7528254 +1   -2.1624119 +1     0     0     0
  C     0.06139078 +1   -2.2536009 +1    2.7927708 +1     0     0     0
  C     1.33445363 +1   -3.0027662 +1    2.3153878 +1     0     0     0
  C     2.08103912 +1   -4.2365630 +1    0.4700776 +1     0     0     0
  C     3.34845546 +1   -4.4034082 +1    1.0351484 +1     0     0     0
  C     4.28786654 +1   -5.2228691 +1    0.4117979 +1     0     0     0
  C     3.98004395 +1   -5.8865059 +1   -0.7711021 +1     0     0     0
  C     2.72801849 +1   -5.7078135 +1   -1.3593371 +1     0     0     0
  C     1.78680786 +1   -4.8875574 +1   -0.7486497 +1     0     0     0
  C     0.45730391 +1   -4.0323254 +1   -2.4746722 +1     0     0     0
  C    -0.28469478 +1   -2.7567192 +1   -2.0822647 +1     0     0     0
  H    -2.07917659 +1    2.7666937 +1   -3.1026171 +1     0     0     0
  H    -2.47796453 +1    1.2040200 +1   -2.2882348 +1     0     0     0
  H    -2.19601706 +1    0.8300763 +1   -4.5135730 +1     0     0     0
  H    -1.63936792 +1   -0.8312433 +1   -6.2417632 +1     0     0     0
  H     0.62653322 +1   -1.8404613 +1   -6.3312468 +1     0     0     0
  H     2.32810854 +1   -1.2357679 +1   -4.6501692 +1     0     0     0
  H     3.78355037 +1   -0.1291154 +1   -3.0303845 +1     0     0     0
  H     2.66205662 +1   -1.4101711 +1   -2.4021693 +1     0     0     0
  H    -2.07467614 +1   -1.6391195 +1   -1.4343441 +1     0     0     0
  H     2.34812822 +1    0.6088037 +1    1.7789725 +1     0     0     0
  H     2.19435124 +1   -2.3153014 +1    2.3085331 +1     0     0     0
  H     1.53474119 +1   -3.8491181 +1    2.9939542 +1     0     0     0
  H     3.62640320 +1   -3.8907030 +1    1.9519357 +1     0     0     0
  H     5.27282649 +1   -5.3389086 +1    0.8603657 +1     0     0     0
  H     4.70699345 +1   -6.5418062 +1   -1.2374484 +1     0     0     0
  H     2.47838934 +1   -6.2112174 +1   -2.2897839 +1     0     0     0
  H    -0.14782182 +1   -4.6456005 +1   -3.1662854 +1     0     0     0
  H     1.44273859 +1   -3.8165410 +1   -2.9150614 +1     0     0     0
  H    -2.89237218 +1   -1.1557688 +1   -0.1417159 +1     0     0     0
  H     1.37319620 +1    0.0989055 +1    2.8947772 +1     0     0     0