Accuracy

La_(TEQBIA) r   6503 Lanthanum complex, CCDC: TEQBIA (Geo)

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    #  Species Formula
  6493 Lanthanum(III) tetraiodideI4La
  6494 Lanthanum(III) hexaiodide (Geo)I6La
  6495 Lanthanum(III) hexaiodideI6La
  6496 Lanthanum, dimer (Geo)La2
  6497 Lanthanum, dimerLa2
  6498 Lanthanum complex, CCDC: EBEGOH (Geo)C48H46N4O12La2
  6499 Lanthanum complex, CCDC: PUWZIQ (Geo)C54H58N4O12La2
  6500 Lanthanum complex, CCDC: HUFQOO (Geo)C66H46N4O12La2
  6501 Lanthanum complex, CCDC: TEQBOG (Geo)C38H26N4O14La2
  6502 Lanthanum complex, CCDC: QAPXAG (Geo)C48H36N6O14La2
  6503 Lanthanum complex, CCDC: TEQBIA (Geo) C18H14O16La2
  6504 Lanthanum complex, CCDC: YIVZIM (Geo)C12H44N4O16La2
  6505 Lanthanum complex, CCDC: ALANIC (Geo)C36H32N6O16La2
  6506 Lanthanum complex, CCDC: CUMCES (Geo)C16H28O18La2
  6507 Lanthanum complex, CCDC: HETALA11 (Geo)C20H38N4O18La2
  6508 Lanthanum complex, CCDC: ZEQVUM (Geo)C42H40N6O20La2
  6509 Lanthanum complex, CCDC: SUZXIU (Geo)C74H70N4O24La2
  6510 bis((mu-2-Fluorido)-(h5-1,3-bis(trimethylsilyl)-cyclopentadienyl)-lanthanum(iii) (Geo)C44H84F2Si8La2
  6511 Dilanthanum heptachloride, anionCl7La2
  6512 Dilanthanum heptachloride (Geo)Cl7La2
  6513 Lanthanum complex, CCDC: ZEWYOP (Geo)C32H20N4O14Cl18La2


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: TEQBIA
 <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     2.49600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.50080020 +1   65.1990965 +1    0.0000000 +0     1     2     0
  O     2.51440010 +1   90.3791377 +1  137.1755237 +1     1     2     3
  O     2.52400010 +1  164.6183348 +1  171.7315432 +1     1     2     3
  O     2.54669993 +1  126.8942762 +1  -14.3953751 +1     1     2     3
  O     2.55610019 +1   73.1295394 +1 -110.4404312 +1     1     2     3
  O     2.21186129 +1  107.3913562 +1    3.9664672 +1     7     1     2
  O     2.36236409 +1   99.4378910 +1   68.3591214 +1     1     2     3
  O     2.20928614 +1  112.5218217 +1  -66.5567193 +1     9     1     2
  O     2.20812574 +1  100.2666727 +1  126.1070935 +1     6     1     2
  O     2.20964619 +1  110.0967444 +1 -138.4970751 +1     4     1     2
  O     4.57629203 +1   99.1844767 +1  108.2766734 +1    11     6     1
  O     2.20476167 +1  139.7412792 +1  122.5945057 +1     5     1     2
  O     4.13486009 +1   47.8056940 +1 -148.6411751 +1    13    11     6
  O     4.52237323 +1  106.3255373 +1  -81.4512239 +1    12     4     1
  O     2.20474543 +1   52.7915896 +1  177.6864569 +1    15    13    11
 La     4.54074384 +1   29.3634864 +1 -112.6360911 +1    13    11     6
  C     1.23203020 +1   29.2314171 +1 -157.6115327 +1    10     9     1
  C     1.43923073 +1  122.6526200 +1 -179.7823296 +1    19    10     9
  C     1.21023774 +1  178.6734162 +1  -85.2235966 +1    20    19    10
  C     1.26955055 +1   28.3618801 +1  176.9731278 +1    11     6     1
  C     1.43082701 +1  117.1998189 +1  178.9472887 +1    22    11     6
  C     1.21008778 +1  178.6619311 +1   66.0752450 +1    23    22    11
  C     1.24573145 +1   28.4534074 +1  177.2029266 +1     8     7     1
  C     1.44006539 +1  119.2692568 +1  179.8633105 +1    25     8     7
  C     1.20959748 +1  178.8292696 +1   -7.6993621 +1    26    25     8
  H     0.95702051 +1  120.5080484 +1  -12.3643202 +1     2     1     3
  H     1.05600403 +1  108.8095743 +1  109.2553422 +1     2     1     3
  H     1.03587996 +1  178.6300632 +1 -168.7263689 +1    21    20    15
  H     0.96640967 +1  117.6413971 +1 -136.9977197 +1     3     1     2
  H     1.02826092 +1  105.5372259 +1  108.2748774 +1     3     1     2
  H     1.03443809 +1  179.7246753 +1 -110.3828990 +1    24    23    31
  H     1.03185936 +1  179.9913964 +1 -148.9605533 +1    27    26    33
  H     0.94922063 +1   58.8835310 +1  -36.1619462 +1    13    11     6
  H     0.95606954 +1   94.7817270 +1 -140.8241154 +1    13    11     6
  H     0.96834203 +1  101.4604426 +1  144.9085057 +1    16    12     4
  H     0.94996651 +1  149.4508196 +1  -62.7142346 +1    16    12     4
  C     1.20941191 +1   30.9832425 +1  -47.1372359 +1    14     5     1
  C     1.42508366 +1  126.5211525 +1  178.3511545 +1    39    14     5
  C     1.21136953 +1  179.9258495 +1   75.4617400 +1    40    39    14
  H     1.03855995 +1  179.5539028 +1  -81.5682795 +1    41    40     6
  C     1.24328481 +1  132.4778340 +1 -116.7935998 +1     4     1     2
  C     1.43342265 +1  120.1869910 +1  136.9423996 +1    43     4     1
  C     1.20993702 +1  179.7533977 +1  -68.4088148 +1    44    43     4
  H     1.03362023 +1  179.9933217 +1  -73.0280577 +1    45    44    37
  C     1.29388528 +1   69.7882384 +1 -156.9253208 +1    15    13    11
  C     1.43531028 +1  114.3031329 +1  134.0282352 +1    47    15    13
  C     1.20966017 +1  178.8429480 +1 -171.2162368 +1    48    47    15
  H     1.03183611 +1  179.9517353 +1 -155.9656433 +1    49    48    21