Accuracy

La(III)(Cp)3O (PEWXUK) r   6376 La(III)(Cp)3O (PEWXUK) (Geo)

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    #  Species Formula
  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
  6386 La(II)(H2O)6H12O6La


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
La(III)(Cp)3O (PEWXUK)
 <La-O> <La-C><O-La-C> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.51438500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.83529200 +1  120.0838970 +1    0.0000000 +0     1     2     0
  C     1.42164526 +1   78.4468338 +1   63.1269765 +1     3     1     2
  C     1.41386431 +1  108.0168527 +1  -71.8522917 +1     4     3     1
  C     1.41987506 +1  108.0717308 +1   -1.1062177 +1     5     4     3
  C     1.41353838 +1  108.0924976 +1   -0.0146471 +1     6     5     4
  C     2.92983037 +1  112.6191771 +1 -139.6034985 +1     1     2     3
  C     1.41969343 +1   74.6371989 +1  109.9665969 +1     8     1     2
  C     1.41873083 +1  107.8307314 +1  -71.8393137 +1     9     8     1
  C     1.41548104 +1  108.0919397 +1    0.9569641 +1    10     9     8
  C     1.41488149 +1   77.6315547 +1 -112.9284595 +1     8     1     9
  C     2.89771208 +1  115.0850626 +1 -110.0993553 +1     1     2     8
  C     1.42034486 +1   76.9779386 +1   87.9872320 +1    13     1     2
  C     1.41464056 +1  108.0447035 +1  -71.6832927 +1    14    13     1
  C     1.41909812 +1  108.0272195 +1   -0.1606754 +1    15    14    13
  C     1.41797034 +1   77.7922731 +1 -111.8178448 +1    13     1    14
  C     2.41700827 +1  115.3327750 +1  177.1129124 +1     2     1     3
  C     1.22852705 +1  143.8284373 +1   10.6961689 +1     2     1    18
  C     2.38134121 +1   87.9832611 +1  160.0726254 +1    19     2     1
  C     1.52079967 +1  130.4057088 +1 -152.5007417 +1    20    19     2
  C     1.53376702 +1  111.3062892 +1   64.5306101 +1    21    20    19
  C     1.52733691 +1  110.8330157 +1 -178.8763916 +1    22    21    20
  H     1.07147504 +1  119.0123004 +1  124.5050239 +1     3     1     4
  H     1.07230326 +1  125.8214194 +1 -173.5528241 +1     4     3     5
  H     1.07016427 +1  125.8594526 +1 -173.3639199 +1     5     4     6
  H     1.07031579 +1  125.6727468 +1 -173.6012162 +1     6     5     7
  H     1.07217353 +1  125.9040098 +1 -172.4274761 +1     7     6     5
  H     1.07194193 +1  119.8011944 +1 -124.2310364 +1     8     1    12
  H     1.07149897 +1  125.7863662 +1 -170.7907359 +1     9     8    10
  H     1.07204324 +1  125.7683753 +1 -173.5223143 +1    10     9    11
  H     1.06943558 +1  125.5257882 +1 -173.3378528 +1    11    10     9
  H     1.06979686 +1  125.4573677 +1 -117.8103581 +1    12     8     1
  H     1.07150506 +1  119.1715036 +1 -124.2463401 +1    13     1    17
  H     1.07198285 +1  125.8192252 +1 -172.6652290 +1    14    13    15
  H     1.06994733 +1  125.3946879 +1 -172.9344996 +1    15    14    16
  H     1.06864405 +1  126.0372705 +1 -172.5971927 +1    16    15    14
  H     1.07200489 +1  125.7458797 +1 -115.2772082 +1    17    13     1
  H     1.10929263 +1  101.2276431 +1   49.2740128 +1    18     2     1
  H     1.10827133 +1   95.6230435 +1 -108.3567851 +1    18     2    39
  H     1.10432584 +1  136.6924430 +1 -122.3017033 +1    18     2    40
  H     1.10510848 +1   86.1534576 +1  117.4187573 +1    20    19    21
  H     1.10388330 +1  100.0677168 +1  109.3964777 +1    20    19    42
  H     1.10909912 +1  109.5502805 +1  122.1566705 +1    21    20    22
  H     1.10992029 +1  110.1563433 +1  115.6455967 +1    21    20    44
  H     1.10775461 +1  110.2580394 +1 -121.9585975 +1    22    21    23
  H     1.10746809 +1  109.8885614 +1 -116.3079574 +1    22    21    46
  H     1.09696830 +1  111.1501115 +1 -179.6123417 +1    23    22    21
  H     1.09605432 +1  111.6773726 +1  119.7796535 +1    23    22    48
  H     1.09586607 +1  111.6593091 +1  120.4787297 +1    23    22    49
  O     1.32456774 +1  120.5397410 +1    0.4451072 +1    19     2    20