Accuracy

La_(XEMNUY) r   6430 Lanthanum complex, CCDC: XEMNUY (Geo)

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


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: XEMNUY
 <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     2.51720005 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.52209970 +1   76.2795400 +1    0.0000000 +0     1     2     0
  O     2.52949986 +1  130.1041447 +1 -158.5777968 +1     1     2     3
  O     2.54424878 +1   68.9292538 +1  -90.1384276 +1     1     2     3
  O     2.54910054 +1   66.3274380 +1 -157.0611714 +1     1     2     3
  O     2.56340064 +1   92.9723173 +1   60.9778655 +1     1     2     3
  O     2.34716708 +1   82.4502613 +1  125.0976462 +1     1     2     3
  O     2.32205453 +1  162.3026901 +1  -24.7069446 +1     1     2     3
  O     3.99176384 +1   41.4528739 +1  163.6427523 +1     1     2     3
  O     2.66222746 +1  105.9457101 +1 -100.7588338 +1     4     1     2
  O     2.64860476 +1  106.6137189 +1 -179.0603851 +1     7     1     2
  O     3.22023295 +1   95.9030258 +1   25.3067825 +1     2     1     3
  O     3.26223493 +1  155.5936150 +1   23.2725868 +1    11     4     1
  O     3.25528703 +1   89.0150861 +1  132.3595573 +1    13     2     1
  O     3.26023864 +1  156.6764673 +1    9.7612543 +1    12     7     1
  C     3.33382616 +1   92.2615749 +1   -3.8030664 +1    14    11     4
  H     1.10421181 +1   82.1275496 +1  132.7046353 +1    17    14    11
  H     1.10045198 +1  155.3978830 +1   18.1170177 +1    17    14    11
  H     1.10436956 +1   91.0604819 +1 -121.0140216 +1    17    14    11
  C     1.24260860 +1  123.6980279 +1   66.4715419 +1     2     1     3
  C     1.19256154 +1   45.6461113 +1  133.1316420 +1    13     2     1
  C     1.24821556 +1  137.1615431 +1  173.6378253 +1     8     1     2
  C     1.18697455 +1   46.5989320 +1    0.8447154 +1    15    13     2
  C     1.18484358 +1   46.2184818 +1   -4.4238575 +1    14    11     4
  C     1.38952693 +1  137.6989570 +1  117.2393351 +1    21     2     1
  C     1.45781926 +1  134.6422045 +1    0.5148316 +1    26    21     2
  H     1.10153405 +1  112.1324453 +1 -113.0863813 +1    27    26    21
  H     1.10454618 +1  111.5521094 +1  127.6699547 +1    27    26    21
  H     1.10280648 +1  112.3859235 +1    7.8801641 +1    27    26    21
  C     1.24713263 +1  140.2849685 +1  116.6867352 +1     9     1     2
  C     1.19344879 +1  113.1793203 +1   11.9362586 +1    12     7     1
  C     1.19278447 +1  112.3650623 +1   19.9811049 +1    11     4     1
  C     1.18551420 +1   46.2138967 +1    2.8469949 +1    16    12     7
  C     1.38274209 +1  136.3277842 +1  151.1618186 +1    23     8     1
  C     1.47069886 +1  139.9762101 +1  179.9057820 +1    34    16    12
  C     1.45725278 +1  129.6740405 +1   -0.5055632 +1    36    34    16
  H     1.10369201 +1  111.7937513 +1   48.1016417 +1    37    36    34
  H     1.10471719 +1  111.4908296 +1  -71.0033349 +1    37    36    34
  H     1.09986121 +1  112.2220022 +1  169.1326885 +1    37    36    34
  H     1.02410844 +1  110.4011816 +1  -40.9074322 +1     6     1     2
  H     0.95950505 +1  120.5406179 +1 -165.5102186 +1     6     1     2
  H     0.96348698 +1  136.5069747 +1   78.7288884 +1     5     1     2
  H     0.98263722 +1  109.2929429 +1  -63.5723794 +1     5     1     2
  H     0.98665673 +1   58.5564345 +1   -8.4987297 +1    10     1     2
  H     0.96864620 +1   77.3386457 +1 -122.7023217 +1    10     1     2
  H     0.97533635 +1  112.0342697 +1  143.4490024 +1     4     1     2
  H     0.99702110 +1  113.2916775 +1  -99.6368313 +1     4     1     2
  H     0.97007057 +1  114.7131539 +1   60.7795410 +1     7     1     2
  H     0.99764544 +1  114.8250251 +1 -177.2569452 +1     7     1     2
  H     0.96671109 +1  118.0405273 +1  101.5037342 +1     3     1     2
  H     0.99191465 +1  120.7962503 +1  -31.4381616 +1     3     1     2