Accuracy

La_(PUHYAS) r   6398 Lanthanum complex, CCDC: PUHYAS (Geo)

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    #  Species Formula
  6388 La(III)O8 (AQACAL) (Geo)C15H21O6La
  6389 Lanthanum complex, CCDC: XECQEB (Geo)C15H23N3O6La
  6390 Lanthanum complex, CCDC: NASTOQ (Geo)C26H28N8O6La
  6391 Lanthanum complex, CCDC: RIDROL (Geo)H43BC36N11O6La
  6392 Lanthanum complex, CCDC: OFEGIP (Geo)C36H40N8O7La
  6393 Lanthanum complex, CCDC: RIDQUQ (Geo)C40H44B2N13O7La
  6394 La(III)O8 (AQACAL)C15H25O8La
  6395 Lanthanum complex, CCDC: MENQOL (Geo)C24H20N6O8La
  6396 Lanthanum complex, CCDC: QAKWEE (Geo)C32H64N8O8La
  6397 Lanthanum complex, CCDC: BUVVIX01 (Geo)H18O9La
  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


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: PUHYAS
 <La-O2> <La-O3> <> <La-O4> <> <> <La-O5> <> <> <La-O6> <> <> <La-N7> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.52189976 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.53370018 +1   61.3440014 +1    0.0000000 +0     1     2     0
  O     2.56699974 +1   66.2980425 +1   96.9850462 +1     1     2     3
  O     2.60620007 +1   69.4727896 +1  -66.3581840 +1     1     2     3
  O     2.63836817 +1  145.9488961 +1  145.9201355 +1     1     2     3
  N     2.64349972 +1   77.1501005 +1  174.7322536 +1     1     2     3
  O     2.16397731 +1  103.7840624 +1  -30.7689280 +1     5     1     2
  N     2.01248276 +1  126.7934365 +1  -28.4039695 +1     1     2     3
  N     2.02503830 +1  111.3865608 +1 -122.6622669 +1     1     2     3
  O     2.16798850 +1   61.2043015 +1  -92.8045957 +1     6     1     2
  N     1.25510974 +1   31.7942959 +1 -155.2068493 +1     8     5     1
  N     1.25721990 +1   88.2574737 +1  -74.8167220 +1     6     1     2
  O     1.20789829 +1  123.3112370 +1 -179.0920952 +1    12     8     5
  O     1.20779779 +1  123.1528411 +1  148.1680278 +1    13     6     1
  H     0.95628301 +1  129.2296384 +1 -150.8017394 +1     2     1     3
  H     1.04259649 +1  103.1119550 +1   88.2048089 +1     2     1     3
  H     0.97443665 +1  116.1784705 +1   29.2280672 +1     3     1     2
  H     0.98941441 +1  103.6501091 +1  -83.1463327 +1     3     1     2
  H     0.96342694 +1  125.5894482 +1  -30.5697754 +1     4     1     2
  H     0.98544680 +1  112.4693626 +1 -161.0345774 +1     4     1     2
  C     1.36176587 +1  126.8533378 +1   76.8094109 +1     9     1     2
  H     1.10929484 +1  117.3747050 +1    7.1980814 +1    22     9     1
  C     1.40258769 +1  121.8820382 +1 -173.1911794 +1    22     9     1
  H     1.09485831 +1  119.3080549 +1  179.9420865 +1    24    22     9
  C     1.38616273 +1  119.6818614 +1    0.0177838 +1    24    22     9
  H     1.09717365 +1  120.7765714 +1  179.2166933 +1    26    24    22
  C     1.40267020 +1  119.3883439 +1   -1.0933568 +1    26    24    22
  H     1.09264536 +1  119.9111257 +1 -179.4604891 +1    28    26    24
  C     1.39365260 +1  115.1354546 +1  -97.8830166 +1     9     1     2
  C     1.38918813 +1  114.5963097 +1  112.0490426 +1    10     1     2
  C     1.38909792 +1  122.2723656 +1 -167.3222752 +1    31    10     1
  H     1.09365414 +1  120.9486731 +1  178.1325399 +1    32    31    10
  C     1.39777951 +1  118.8314368 +1   -0.7928218 +1    32    31    10
  H     1.09835461 +1  120.0615516 +1  177.4695221 +1    34    32    31
  C     1.39007587 +1  119.5146068 +1   -3.0866601 +1    34    32    31
  H     1.09447356 +1  120.0414388 +1 -178.7296655 +1    36    34    32
  C     1.37145285 +1  127.0543628 +1  -60.3082582 +1    10     1     2
  C     1.36044269 +1  106.9548137 +1  122.7056492 +1     7     1     2
  C     1.39570680 +1  122.0026637 +1  165.0243539 +1    39     7     1
  H     1.09047336 +1  121.6365314 +1 -178.5576302 +1    40    39     7
  C     1.40050542 +1  118.4747265 +1    0.1948247 +1    40    39     7
  H     1.09584154 +1  119.8506666 +1 -179.6871470 +1    42    40    39
  C     1.38802765 +1  119.4961468 +1   -0.1201982 +1    42    40    39
  H     1.09241583 +1  121.1281323 +1 -179.5090780 +1    44    42    40
  C     1.34072496 +1  131.5188796 +1  -74.8647385 +1     7     1     2
  H     1.10195237 +1  116.9419062 +1   18.6101805 +1    46     7     1