Accuracy

La_(SIXBIK) r   6426 Lanthanum complex, CCDC: SIXBIK (Geo)

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    #  Species Formula
  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
  6428 Lanthanum complex, CCDC: WEHTAE (Geo)C22H26N3O14La
  6429 Lanthanum complex, CCDC: GOZBEC (Geo)C10H12N6O14La
  6430 Lanthanum complex, CCDC: XEMNUY (Geo)C15H21O15La
  6431 Lanthanum complex, CCDC: LANITA (Geo)C12H24N3O15La
  6432 Lanthanum complex, CCDC: ZULFOB (Geo)C10H26N5O15La
  6433 Lanthanum complex, CCDC: BEQPOC (Geo)C30H60N7O15La
  6434 Lanthanum complex, CCDC: FIVCIW (Geo)N6O18La
  6435 Lanthanum complex, CCDC: GOJQAX (Geo)C30H33N12O24La
  6436 Lanthanum(I) fluoride (Geo)FLa


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: SIXBIK
 <La-O2> <La-O3> <> <La-O4> <> <> <> <> <> <> <> <> <La-O7> <> <> <La-O8> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.57664525 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.58839382 +1  124.7894524 +1    0.0000000 +0     1     2     0
  O     2.59519968 +1  123.0429904 +1  115.2431715 +1     1     2     3
  O     2.16636601 +1   58.7316385 +1  -25.2595337 +1     3     1     2
  O     2.17100619 +1   62.4850640 +1 -134.3860462 +1     2     1     3
  O     2.63170000 +1  131.3611547 +1  -87.1186285 +1     1     2     3
  O     2.66890025 +1   68.4562852 +1 -154.6895905 +1     1     2     3
  O     2.59694022 +1   83.6909220 +1 -162.3023172 +1     8     1     2
  O     2.95180138 +1   81.1464021 +1 -153.0989360 +1     7     1     2
  O     2.16893193 +1   59.1923075 +1  -64.3848145 +1     4     1     2
  O     2.73761563 +1   68.5659296 +1   -9.4449602 +1     7     1     2
  N     1.28870137 +1   31.4622005 +1  160.0485218 +1     5     3     1
  N     1.26714368 +1   93.8544605 +1 -131.4438023 +1     2     1     3
  N     1.28142945 +1   31.5326214 +1  166.7643753 +1    11     4     1
  O     1.20438855 +1  121.1824815 +1  178.8694472 +1    15    11     4
  O     1.20460125 +1  120.6353932 +1  177.9951053 +1    13     5     3
  O     1.20904057 +1  121.8401244 +1  177.1506658 +1    14     2     1
  C     1.42259452 +1  127.4841969 +1   -5.4450685 +1     7     1     2
  C     1.52983130 +1  109.5066822 +1   85.1366048 +1    19     7     1
  C     1.53313338 +1  108.6661763 +1 -179.4495924 +1    20    19     7
  C     1.53529575 +1  110.4968301 +1   56.9701200 +1    21    20    19
  C     1.53399373 +1  111.3790464 +1  -56.6903939 +1    22    21    20
  C     1.42074865 +1   60.8518644 +1 -145.1153543 +1    12     7     1
  C     1.40550935 +1  148.4615185 +1  -51.2393651 +1    12     7     1
  C     1.42503393 +1  127.0460657 +1   54.8953287 +1     8     1     2
  C     1.43405586 +1  120.3631210 +1 -108.4343258 +1     8     1     2
  C     1.52657610 +1  107.5878080 +1  -36.8895342 +1    27     8     1
  C     1.41404844 +1  179.9976528 +1 -139.9605289 +1     9     8     1
  C     1.53019816 +1  109.9851315 +1  149.5601120 +1    29     9     8
  C     1.41835177 +1   53.5337324 +1  173.2232302 +1    10     7     1
  C     1.42508663 +1  117.2707396 +1  170.5218896 +1     7     1     2
  H     1.11554343 +1  108.3708325 +1 -153.2018334 +1    19     7     1
  H     1.10446032 +1  110.8718052 +1   57.9593054 +1    20    19     7
  H     1.11278747 +1  110.5709029 +1  -58.6894366 +1    20    19     7
  H     1.10507035 +1  110.5984786 +1  -65.6589228 +1    21    20    19
  H     1.10790674 +1  109.6285037 +1  178.0347273 +1    21    20    19
  H     1.10526181 +1  110.0233347 +1 -179.2927825 +1    22    21    20
  H     1.11050183 +1  109.2944583 +1   64.3405767 +1    22    21    20
  H     1.10618723 +1  110.3330181 +1  -63.5103458 +1    23    22    21
  H     1.10459288 +1  110.2789487 +1 -179.7132112 +1    23    22    21
  H     1.11108771 +1  110.0940998 +1   89.7501883 +1    24    12     7
  H     1.10849751 +1  110.0775607 +1 -140.6027850 +1    25    12     7
  H     1.11720193 +1  101.5777674 +1  105.6374068 +1    25    12     7
  H     1.11002741 +1  108.8544916 +1 -106.7586368 +1    26     8     1
  H     1.10766894 +1  107.7051933 +1  134.6835916 +1    26     8     1
  H     1.10706613 +1  108.7802422 +1 -156.5239224 +1    27     8     1
  H     1.11001986 +1  107.8814237 +1   83.7982960 +1    27     8     1
  H     1.10709216 +1  114.6717753 +1   70.5927939 +1    28    27     8
  H     1.10900525 +1  109.7469749 +1 -169.9539297 +1    28    27     8
  H     1.10797766 +1  101.4548816 +1   30.4989692 +1    29     9     8
  H     1.10180303 +1  112.3949513 +1  -84.9964226 +1    29     9     8
  H     1.11603980 +1  112.0249878 +1   66.5562600 +1    30    29     9
  H     1.10373639 +1  111.4331942 +1 -170.8215674 +1    30    29     9
  H     1.10378811 +1  112.2301301 +1  -85.4333463 +1    31    10     7
  H     1.10458812 +1  108.2365466 +1  153.9939062 +1    31    10     7
  H     1.11319507 +1  105.5963628 +1  -33.6965635 +1    32     7     1
  H     1.10441235 +1  110.5497141 +1 -150.1902809 +1    32     7     1