Accuracy

La_(XALSOS) r   6413 Lanthanum complex, CCDC: XALSOS (Geo)

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    #  Species Formula
  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
  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


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: XALSOS
 <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     2.49869998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.51650027 +1  124.8452805 +1    0.0000000 +0     1     2     0
  O     2.54480015 +1  152.0328519 +1 -167.8567346 +1     1     2     3
  O     2.54939977 +1  121.8594813 +1  -87.0288140 +1     1     2     3
  O     2.56749966 +1   62.5943473 +1  118.9845047 +1     1     2     3
  O     2.60340000 +1   94.3825823 +1  169.5455016 +1     1     2     3
  N     2.56857771 +1   49.9036917 +1   62.3083496 +1     7     1     2
  N     2.59449705 +1   53.2360819 +1  -35.6721023 +1     2     1     3
  N     2.69085088 +1   52.0900133 +1  -48.1384207 +1     3     1     2
  N     2.63372947 +1   50.8302930 +1 -116.5657248 +1     4     1     2
  O     2.24989354 +1  140.5656109 +1 -147.3367865 +1     4     1     2
  O     2.23508717 +1  139.8641293 +1  -52.7562601 +1     5     1     2
  O     2.23632189 +1  140.4416594 +1 -173.7020380 +1     6     1     2
  O     2.23258853 +1  144.9496121 +1  -59.7286323 +1     2     1     3
  O     2.25213103 +1  140.0854031 +1   29.3714022 +1     7     1     2
  O     2.22855079 +1  144.1570044 +1  -47.3340703 +1     3     1     2
  C     1.51300937 +1   64.0998998 +1 -135.5996684 +1     8     7     1
  H     1.09752989 +1  112.9289558 +1 -134.5622427 +1    18     8     7
  H     1.11385208 +1  111.0786004 +1  103.4864609 +1    18     8     7
  C     1.23574969 +1   24.5372761 +1    6.8867442 +1    16     7     1
  C     1.51771512 +1   87.0473373 +1  115.6188632 +1     8     7     1
  H     1.09893467 +1  112.7871760 +1  120.0814060 +1    22     8     7
  H     1.12385829 +1  109.5321578 +1    0.0090242 +1    22     8     7
  C     1.24081859 +1   25.9796106 +1  -17.0073633 +1    13     5     1
  C     1.51708864 +1  164.2024332 +1  -85.0171928 +1     8     7     1
  H     1.11989724 +1  109.0363134 +1   -2.7231954 +1    26     8     7
  H     1.10983482 +1  111.2184318 +1 -119.6385915 +1    26     8     7
  C     1.51562677 +1  149.7078494 +1  -81.5568127 +1    10     3     1
  H     1.11874389 +1  109.8643683 +1  -29.6295188 +1    29    10     3
  H     1.10817994 +1  111.9004296 +1 -145.9225243 +1    29    10     3
  C     1.51204703 +1   61.1528643 +1 -153.0732232 +1    10     3     1
  H     1.10064926 +1  112.8099051 +1 -137.9380783 +1    32    10     3
  H     1.12444996 +1  111.2677373 +1  102.0085809 +1    32    10     3
  C     1.23934042 +1   26.3196538 +1  -20.4807123 +1    17     3     1
  C     1.51146900 +1  103.4394957 +1  106.5154671 +1    10     3     1
  H     1.11694097 +1  110.0042844 +1 -139.1139791 +1    36    10     3
  H     1.11031162 +1  112.1382210 +1  103.6540144 +1    36    10     3
  C     1.51748109 +1   95.1050974 +1  114.2304352 +1     9     2     1
  H     1.11510746 +1  110.8064117 +1 -151.6715900 +1    39     9     2
  H     1.11006867 +1  111.8350409 +1   91.4240373 +1    39     9     2
  C     1.50741422 +1   63.9708520 +1 -141.3801802 +1     9     2     1
  H     1.10069987 +1  113.3407236 +1 -134.5349278 +1    42     9     2
  H     1.11722455 +1  111.7852050 +1  104.7720446 +1    42     9     2
  C     1.23545911 +1   26.1945632 +1   -1.7803952 +1    15     2     1
  C     1.50999697 +1  158.6600291 +1  -70.9651774 +1     9     2     1
  H     1.10789794 +1  111.7960047 +1 -103.0592448 +1    46     9     2
  H     1.12290833 +1  109.9712884 +1  139.1102689 +1    46     9     2
  C     1.52300139 +1  163.0015033 +1  -83.4709156 +1    11     4     1
  H     1.10953452 +1  111.3030527 +1  -70.8195015 +1    49    11     4
  H     1.11610459 +1  110.5851827 +1  172.5314230 +1    49    11     4
  C     1.51522469 +1   91.7936616 +1  113.2761810 +1    11     4     1
  H     1.09960558 +1  112.9682415 +1  119.6079652 +1    52    11     4
  H     1.12143810 +1  110.2978728 +1    0.1367172 +1    52    11     4
  C     1.23834393 +1   26.0049027 +1  -10.1379946 +1    14     6     1
  C     1.50564169 +1   63.1270352 +1 -139.5548301 +1    11     4     1
  H     1.10016932 +1  112.8541449 +1 -132.6326912 +1    56    11     4
  H     1.10964319 +1  111.5052423 +1  106.0193613 +1    56    11     4
  C     1.23778671 +1   24.5515099 +1    8.7206334 +1    12     4     1