Accuracy

La_(LANITA) r   6431 Lanthanum complex, CCDC: LANITA (Geo)

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    #  Species Formula
  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
  6437 Lanthanum(I) fluorideFLa
  6438 Lanthanum(III) oxide fluorideOFLa
  6439 Lanthanum(III) oxide fluoride (Geo)OFLa
  6440 Lanthanum(III) trifluoride (Geo)F3La
  6441 Lanthanum(III) trifluorideF3La


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: LANITA
 <La-O2> <La-O3> <> <La-O4> <> <> <La-O5> <> <> <La-O6> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.62660014 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.64419986 +1   69.2934109 +1    0.0000000 +0     1     2     0
  O     2.65030952 +1   65.6126380 +1  138.7180525 +1     1     2     3
  O     2.66169953 +1  179.9954616 +1  177.9958643 +1     1     2     3
  O     2.66449985 +1  113.3846034 +1 -164.1306982 +1     1     2     3
  O     2.15707916 +1   62.1172590 +1 -149.5762169 +1     4     1     2
  O     2.15605676 +1   61.3336249 +1   30.6949953 +1     6     1     2
  O     2.15964830 +1   66.7745523 +1 -151.1620777 +1     3     1     2
  O     2.79388707 +1   62.2211283 +1  -76.5344193 +1     1     2     3
  O     2.82203902 +1  118.1404740 +1   51.8009727 +1     1     2     3
  O     2.76629315 +1   61.4902377 +1   13.6583811 +1    11     1     2
  O     2.75890950 +1   62.0167516 +1 -167.7072377 +1    10     1     2
  N     1.27596894 +1   31.6385437 +1 -159.1053997 +1     8     6     1
  N     1.26440708 +1   97.5597061 +1 -156.7818242 +1     3     1     2
  N     1.27252010 +1   31.5068794 +1 -177.5226909 +1     7     4     1
  O     1.21192869 +1  121.0446126 +1 -179.3943291 +1    14     8     6
  O     1.21479361 +1  121.2976071 +1 -170.2149270 +1    15     3     1
  O     1.21236980 +1  120.9722001 +1 -179.8549630 +1    16     7     4
  C     1.41992411 +1  112.2572194 +1  165.9026408 +1    11     1     2
  C     1.42345572 +1  114.9690408 +1 -148.7837633 +1     5     1     2
  C     1.41606142 +1  116.4853905 +1   73.0815734 +1     5     1     2
  C     1.41795613 +1  153.7398915 +1  -83.6371917 +1    13    10     1
  C     1.42026054 +1   58.2806454 +1 -158.5513577 +1    13    10     1
  C     1.42069586 +1  118.1372907 +1 -149.2778263 +1    10     1     2
  C     1.41898443 +1  112.4806982 +1  -15.0492241 +1    10     1     2
  C     1.42267526 +1  116.1628409 +1   55.5603287 +1     2     1     3
  C     1.41796736 +1  117.0485683 +1  -84.4272540 +1     2     1     3
  C     1.41729711 +1  152.2762368 +1  -83.9703693 +1    12    11     1
  C     1.42185137 +1   58.1959753 +1 -159.9783406 +1    12    11     1
  C     1.42303962 +1  117.0483876 +1   33.5057295 +1    11     1     2
  H     1.11535851 +1  109.5357276 +1  -76.6833048 +1    20    11     1
  H     1.11281136 +1  108.5407107 +1  163.1464250 +1    20    11     1
  H     1.11117757 +1  109.6030326 +1  -67.1891615 +1    21     5     1
  H     1.11385990 +1  109.0349347 +1  172.9408215 +1    21     5     1
  H     1.11698167 +1  104.4534093 +1  -69.6166217 +1    22     5     1
  H     1.11214674 +1  110.1845423 +1  173.3033415 +1    22     5     1
  H     1.11118425 +1  110.2070087 +1   -5.5566430 +1    23    13    10
  H     1.10811715 +1  109.0323292 +1 -125.9691735 +1    23    13    10
  H     1.11019934 +1  109.5486160 +1 -150.8813549 +1    24    13    10
  H     1.11354970 +1  109.2537821 +1   89.0624450 +1    24    13    10
  H     1.11239158 +1  109.0408724 +1 -168.3517061 +1    25    10     1
  H     1.11207880 +1  109.2394182 +1   71.4410420 +1    25    10     1
  H     1.11635265 +1  109.3070097 +1  -76.3121706 +1    26    10     1
  H     1.11135576 +1  108.8376751 +1  163.5155816 +1    26    10     1
  H     1.10978239 +1  109.6195535 +1  -69.8831458 +1    27     2     1
  H     1.11577269 +1  108.8918425 +1  170.0881014 +1    27     2     1
  H     1.11692121 +1  104.5352600 +1  -70.9947117 +1    28     2     1
  H     1.11316771 +1  110.2422201 +1  172.0104740 +1    28     2     1
  H     1.11127193 +1  110.0386531 +1   -5.6594701 +1    29    12    11
  H     1.10866596 +1  108.9532374 +1 -125.9713370 +1    29    12    11
  H     1.10984855 +1  109.5758359 +1 -151.2167709 +1    30    12    11
  H     1.11484073 +1  109.1857378 +1   88.9278498 +1    30    12    11
  H     1.11243782 +1  108.6647047 +1 -169.4037506 +1    31    11     1
  H     1.11247269 +1  109.4697663 +1   70.7313919 +1    31    11     1