Accuracy

La_(APBNLA) r   6409 Lanthanum complex, CCDC: APBNLA (Geo)

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    #  Species Formula
  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
  6419 La(III)O11 (POHDUL)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: APBNLA
 <La-O2> <La-O3> <> <La-O4> <> <> <La-O5> <> <> <> <> <> <La-O7> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.50609946 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.55920000 +1   90.1492129 +1    0.0000000 +0     1     2     0
  O     2.56399984 +1   55.2923831 +1   47.0135034 +1     1     2     3
  O     2.61120000 +1   88.3070672 +1  120.8985547 +1     1     2     3
  O     2.19499636 +1   87.2909394 +1  -61.1756738 +1     4     1     2
  O     2.62679969 +1   85.0602858 +1 -112.3696600 +1     1     2     3
  O     2.16041980 +1   74.1318532 +1  158.5705538 +1     7     1     2
  O     2.15886523 +1   76.0201938 +1 -150.0450996 +1     5     1     2
  N     2.52025276 +1   51.4780876 +1 -176.9077237 +1     3     1     2
  N     2.51951758 +1   53.0095050 +1  175.2451121 +1     2     1     3
  N     2.53893301 +1  114.3680406 +1    4.9456325 +1    11     2     1
  N     1.27754006 +1  116.2430597 +1  -61.6818795 +1     4     1     2
  N     1.25736378 +1   31.5871111 +1  165.1354046 +1     9     5     1
  N     1.27087575 +1  104.9274945 +1  154.6453330 +1     7     1     2
  N     1.36042935 +1   61.0375309 +1 -174.7376764 +1    11     2     1
  N     1.37291880 +1   60.9982896 +1  169.5783362 +1    10     3     1
  O     1.22991405 +1  118.0906526 +1  179.3470928 +1    13     4     1
  O     1.21454944 +1  120.5851703 +1 -174.2942327 +1    15     7     1
  O     1.21408125 +1  122.0404279 +1  176.8680796 +1    14     9     5
  C     1.36888254 +1  179.9971786 +1  107.9509610 +1    12    11     2
  C     1.39444227 +1  124.6325140 +1   63.2772092 +1    21    12    11
  C     1.39105953 +1  118.6067909 +1    1.2673980 +1    22    21    12
  C     1.39146376 +1  118.7099051 +1    1.3810880 +1    23    22    21
  C     1.37340926 +1   65.1008268 +1  175.8991738 +1    12    11     2
  C     1.32156902 +1  164.8890613 +1 -108.9169121 +1    10     3     1
  C     1.48433044 +1  127.5660078 +1  -68.9200294 +1    26    10     3
  C     1.21002679 +1  118.9098942 +1 -166.0935526 +1     3     1     2
  C     1.46706254 +1  124.9482075 +1  172.3298087 +1    28     3     1
  C     1.39719467 +1  124.2267190 +1  176.1712898 +1    29    28     3
  C     1.39089955 +1  119.4371119 +1 -175.6955076 +1    30    29    28
  C     1.39719198 +1  120.2509739 +1    0.2171592 +1    31    30    29
  C     1.39229911 +1  120.2300659 +1   -1.2708494 +1    32    31    30
  C     1.40035721 +1  115.2350604 +1   -0.5325894 +1    29    28     3
  C     1.31710999 +1  177.0529339 +1 -135.8600830 +1    11     2     1
  C     1.48546989 +1  127.5769469 +1  -33.9175505 +1    35    11     2
  C     1.20784900 +1  121.0756744 +1  172.7406133 +1     2     1     3
  C     1.46610897 +1  125.4298238 +1  179.6190083 +1    37     2     1
  C     1.40012214 +1  115.6294318 +1  -10.0036283 +1    38    37     2
  C     1.39374660 +1  119.6896116 +1  177.7964053 +1    39    38    37
  C     1.39213881 +1  119.8934394 +1    0.6104816 +1    40    39    38
  C     1.39730560 +1  120.3006086 +1    0.0779449 +1    41    40    39
  C     1.39045303 +1  120.1660325 +1   -1.0574538 +1    42    41    40
  H     1.10369116 +1  119.9360029 +1   -4.6711440 +1    34    29    28
  H     1.09078074 +1  120.4357900 +1 -178.8943436 +1    33    32    31
  H     1.09007947 +1  119.7177610 +1  178.8657151 +1    32    31    30
  H     1.08861201 +1  119.8305750 +1 -179.8945662 +1    31    30    29
  H     1.08649149 +1  121.3901621 +1    5.0633207 +1    30    29    28
  H     1.01690026 +1  118.2862937 +1 -165.3273073 +1    17    10     3
  H     1.10193315 +1  112.2974343 +1 -101.0711541 +1    27    26    10
  H     1.10225993 +1  113.9853463 +1   22.2142134 +1    27    26    10
  H     1.10836720 +1  110.4891656 +1  138.7725904 +1    27    26    10
  H     1.08965022 +1  120.7142668 +1 -179.2847703 +1    22    21    12
  H     1.09264728 +1  120.6342123 +1 -179.1840426 +1    23    22    21
  H     1.08990027 +1  120.2124425 +1 -179.7434224 +1    24    23    22
  H     1.10467032 +1  111.4339187 +1  -85.9922247 +1    36    35    11
  H     1.10294314 +1  112.4778093 +1  153.7843097 +1    36    35    11
  H     1.10371721 +1  112.9958701 +1   36.2797787 +1    36    35    11
  H     1.01683956 +1  119.7689782 +1 -172.2041273 +1    16    11     2
  H     1.08661951 +1  119.2554870 +1 -177.6782654 +1    43    42    41
  H     1.08846097 +1  119.8261578 +1  179.5563255 +1    42    41    40
  H     1.09020755 +1  120.0146527 +1  179.9265296 +1    41    40    39
  H     1.09091681 +1  119.6984585 +1 -178.9987799 +1    40    39    38
  H     1.10308778 +1  119.9794044 +1   -1.8161632 +1    39    38    37