Accuracy

La_(EGOBAD) r   6375 Lanthanum complex, CCDC: EGOBAD (Geo)

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    #  Species Formula
  6365 Trimethyl lanthanum (Geo)C3H9La
  6366 Trimethyl lanthanumC3H9La
  6367 Tricyclopentadienyl lanthanum(III)C15H15La
  6368 Lanthanum(II) tetracyanide 2EC4N4La
  6369 La(II)(NH3)6H18N6La
  6370 La(II)(NH3)6 (Geo)H18N6La
  6371 Lanthanum complex, CCDC: XONXUT (Geo)C45H33N9La
  6372 Lanthanum complex, CCDC: ZAZQAS (Geo)C76H44N12La
  6373 Lanthanum complex, CCDC: ZEHTUB (Geo)C64H32N16La
  6374 Lanthanum complex, CCDC: TUPWEG (Geo)C72H40N16La
  6375 Lanthanum complex, CCDC: EGOBAD (Geo) C27H30B3N18La
  6376 La(III)(Cp)3O (PEWXUK) (Geo)C21H27O2La
  6377 Lanthanum complex, CCDC: NEHDAF (Geo)C26H42N8O2La
  6378 Lanthanum complex, CCDC: NAVCOC (Geo)C30H44B2N13O3La
  6379 Lanthanum complex, CCDC: PIBGOW (Geo)C20H40N8O4La
  6380 Lanthanum complex, CCDC: ZIDSOX (Geo)C44H67O5La
  6381 Lanthanum complex, CCDC: LAPTEB10 (Geo)C62H55O5La
  6382 Lanthanum complex, CCDC: ZEJFOJ (Geo)C24H26N4O5La
  6383 Lanthanum(III) hexaquo (Geo)H12O6La
  6384 Lanthanum(III) hexaquoH12O6La
  6385 La(II)(H2O)6 2TgH12O6La


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: EGOBAD
 <La-N2> <La-N3> <> <La-N4> <> <> <La-N5> <> <> <La-N6> <> <> <La-N7> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.65307293 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.65308604 +1   92.9938112 +1    0.0000000 +0     1     2     0
  N     2.65939988 +1  133.3268738 +1   74.6460727 +1     1     2     3
  N     2.65942928 +1   71.8437264 +1  138.2062837 +1     1     2     3
  N     2.66200785 +1   82.1127478 +1 -158.8177199 +1     1     2     3
  N     2.66202364 +1  121.0721273 +1  -70.0437085 +1     1     2     3
  N     2.14701702 +1   69.7238783 +1   69.6600388 +1     1     2     3
  N     2.08075323 +1   63.0534543 +1  -71.6358067 +1     1     2     3
  N     2.05899472 +1  154.5946191 +1 -170.7095698 +1     1     2     3
  C     2.26475706 +1  143.5080811 +1  -27.7259283 +1    10     1     2
  N     1.36315791 +1  108.6317421 +1    0.6092674 +1     2     1     3
  C     1.39097833 +1   73.4698646 +1  157.6620242 +1    11    10     1
  C     1.37147728 +1  142.2594660 +1  119.8301721 +1    10     1     2
  N     1.36000999 +1  110.1624311 +1    2.5139607 +1     3     1     2
  C     2.24729767 +1  146.0392161 +1   78.2813363 +1     4     1     2
  C     1.40013887 +1   72.9282926 +1 -165.0132242 +1    16     4     1
  C     1.35694379 +1  140.1111070 +1  -79.2865419 +1     4     1     2
  B     2.56270691 +1   93.3764239 +1  -72.1547139 +1    10     1     2
  H     1.07688933 +1  156.6916830 +1  -14.6388347 +1    11    10     1
  H     1.06535344 +1  128.4629900 +1 -178.0411638 +1    13    11    10
  H     1.07947438 +1  125.3719950 +1   24.6122511 +1    14    10     1
  H     1.07164659 +1  157.7034245 +1   15.4826027 +1    16     4     1
  H     1.06373641 +1  127.8302444 +1  179.8466327 +1    17    16     4
  H     1.07439953 +1  122.1341168 +1  -12.4966970 +1    18     4     1
  H     1.22065712 +1  131.8399397 +1  172.0631475 +1    19    10     1
  N     1.37886599 +1   34.7834310 +1   14.8008266 +1    16     4     1
  C     2.26853276 +1  144.6658678 +1  -80.5108207 +1     9     1     2
  C     1.38900491 +1   73.4866410 +1  161.6367700 +1    28     9     1
  C     1.36955020 +1  142.3500942 +1   72.6556354 +1     9     1     2
  H     1.07506916 +1  125.7914968 +1   19.1077498 +1    30     9     1
  H     1.06552513 +1  128.5878273 +1 -178.2601905 +1    29    28     9
  H     1.07638774 +1  156.4762798 +1  -11.6707292 +1    28     9     1
  B     2.55258707 +1   91.7675280 +1 -121.1589742 +1     9     1     2
  N     1.35722011 +1  112.3415972 +1 -171.6996181 +1     5     1     2
  N     1.36136253 +1  104.4476154 +1  124.5249086 +1     6     1     2
  C     2.27241191 +1  154.5277454 +1  -52.3746171 +1     8     1     2
  C     1.39834504 +1   73.8567178 +1  179.1535667 +1    37     8     1
  C     1.38714439 +1  135.5160385 +1  126.1865096 +1     8     1     2
  H     1.07249870 +1  126.3065301 +1   -0.0384564 +1    39     8     1
  H     1.06456678 +1  128.3412144 +1  179.7968259 +1    38    37     8
  H     1.07472261 +1  157.0017999 +1   -1.1146293 +1    37     8     1
  B     1.55761165 +1  120.9660667 +1  -34.2868045 +1    12     2     1
  N     1.36661051 +1  109.2222457 +1  -76.0476898 +1     7     1     2
  N     1.38728963 +1   35.3003939 +1  -25.5695669 +1    11    10     1
  C     1.38048135 +1  110.1329230 +1  175.4301676 +1    35     5     1
  C     1.39972420 +1  107.5484961 +1   -0.2685281 +1    46    35     5
  C     1.35723268 +1  139.7323643 +1    0.9551282 +1     5     1     2
  H     1.07498610 +1  122.2255904 +1    6.0837029 +1    48     5     1
  H     1.06333881 +1  127.9211308 +1 -179.6290461 +1    47    46    35
  H     1.07118426 +1  122.9465676 +1  179.6491696 +1    46    35     5
  N     1.36606671 +1   33.9093212 +1   -0.6585502 +1    37     8     1
  C     1.37907378 +1  110.5311483 +1  155.7063084 +1    36     6     1
  C     1.39911075 +1  107.5264300 +1   -0.8038670 +1    53    36     6
  C     1.35981050 +1  140.3444443 +1  -94.1256206 +1     6     1     2
  H     1.07483874 +1  122.8625331 +1   39.9057065 +1    55     6     1
  H     1.06265080 +1  127.9730413 +1 -179.2315528 +1    54    53    36
  H     1.07118798 +1  122.8989390 +1 -179.8191356 +1    53    36     6
  H     1.21997897 +1  133.7170787 +1  171.9816568 +1    34     9     1
  N     1.38841371 +1   35.1253829 +1  -20.4825712 +1    28     9     1
  C     1.38012740 +1  109.9499810 +1  158.5911734 +1    12     2     1
  C     1.39995429 +1  107.7222589 +1   -1.3296697 +1    61    12     2
  C     1.35695743 +1  137.4241982 +1  147.3726418 +1     2     1     3
  H     1.07520993 +1  122.1242268 +1   31.3934442 +1    63     2     1
  H     1.06308605 +1  127.8841003 +1 -179.0596510 +1    62    61    12
  H     1.07129584 +1  122.9090320 +1  179.1894646 +1    61    12     2
  H     1.22259991 +1  107.2485807 +1 -150.0403152 +1    43    12     2
  C     1.35688762 +1  141.0634017 +1 -162.9656213 +1     3     1     2
  C     1.42243721 +1  109.6114635 +1  165.1687056 +1    68     3     1
  C     1.38190082 +1  109.8429576 +1 -170.4749982 +1    15     3     1
  H     1.07183065 +1  122.8136106 +1  179.9418899 +1    70    15     3
  H     1.06354045 +1  126.9715127 +1 -179.2221824 +1    69    68     3
  H     1.07396110 +1  122.4665132 +1  -15.9297429 +1    68     3     1
  C     1.36062392 +1  143.3655152 +1  112.6720189 +1     7     1     2
  C     1.42144604 +1  109.9181841 +1  171.0979442 +1    74     7     1
  C     1.37931784 +1  110.1209627 +1 -174.8784373 +1    44     7     1
  H     1.07252682 +1  122.7924957 +1  179.9064600 +1    76    44     7
  H     1.06409740 +1  126.9953195 +1 -179.6002111 +1    75    74     7
  H     1.07291853 +1  122.7182369 +1   -8.9564205 +1    74     7     1