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La_(XERCAY) r   6457 Lanthanum complex, CCDC: XERCAY (Geo)

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    #  Species Formula
  6447 Lanthanum complex, CCDC: GIMMIY (Geo)C22H36N5O17P2La
  6448 Lanthanum complex, CCDC: SUXLIG (Geo)C39H39N3O12P3La
  6449 Lanthanum complex, CCDC: QUBWIT (Geo)C12H32N3O23P4La
  6450 Lanthanum complex, CCDC: FOPJOJ (Geo)C76H68N3O8P6La
  6451 Lanthanum complex, CCDC: RIDSIG (Geo)C41H44B2N12O7F3SLa
  6452 Lanthanum complex, CCDC: PIRSEO (Geo)C19H38N8O8F3SLa
  6453 Lanthanum complex, CCDC: HELHOV (Geo)C22H43N3O10F3SLa
  6454 Lanthanum complex, CCDC: GULFOI (Geo)C2H14N2O7S2La
  6455 Lanthanum complex, CCDC: ZUWFOM (Geo)C27H30N9S3La
  6456 Lanthanum complex, CCDC: CEFQOT (Geo)C27H32N9OS3La
  6457 Lanthanum complex, CCDC: XERCAY (Geo) C29H38N5O4S3La
  6458 Lanthanum complex, CCDC: FICJEG (Geo)C43H46N3O13S3La
  6459 Lanthanum complex, CCDC: DMSOLA01 (Geo)C8H24N3O13S4La
  6460 La(III)S6O2 (TEPSOW01) (Geo)C13H30N3O2S8La
  6461 Lanthanum(I) chloride (Geo)ClLa
  6462 Lanthanum(I) chlorideClLa
  6463 Lanthanum(III) oxide chlorideOClLa
  6464 Lanthanum(III) oxide chloride (Geo)OClLa
  6465 La(III)O5N2Cl2(+) (TESQOX) (Geo)C16H32N2O5Cl2La
  6466 La(III)O5N2Cl2(+) (TESQOX)C16H32N2O5Cl2La
  6467 La(III)O6Cl2(+) (SEZFAE) (Geo)C6H24N12O6Cl2La


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: XERCAY
 <La-N2> <La-N3> <> <La-O4> <> <> <La-N5> <> <> <La-O6> <> <> <La-O7> GR=CCDC
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.51969982 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.54639981 +1   93.0219994 +1    0.0000000 +0     1     2     0
  O     2.57659996 +1   70.0413322 +1  166.9882989 +1     1     2     3
  N     2.57709967 +1  133.7488580 +1 -177.2210693 +1     1     2     3
  O     2.57769995 +1  145.5126855 +1   67.2952263 +1     1     2     3
  O     2.61679979 +1  146.8083520 +1  -53.9092684 +1     1     2     3
  O     4.44624479 +1   67.0137896 +1 -145.1097435 +1     1     2     3
  N     2.14670107 +1   76.6613749 +1   90.4934429 +1     1     2     3
  N     2.14119370 +1   78.9594028 +1  -87.5721900 +1     1     2     3
  S     2.78731601 +1  146.7640639 +1 -134.9443734 +1     3     1     2
  S     2.78934948 +1  135.6322446 +1  -96.9129936 +1     5     1     2
  S     2.78493980 +1  162.8499115 +1 -152.6885832 +1     2     1     3
  C     3.42711709 +1  136.2996824 +1  -23.9500472 +1     9     1     2
  C     1.39244145 +1  146.8370885 +1  172.9177814 +1    14     9     1
  C     1.39392960 +1  120.0618839 +1   47.5184016 +1    15    14     9
  C     1.39365910 +1  119.9251785 +1    1.0819973 +1    16    15    14
  C     1.39307495 +1  120.0885497 +1   -0.9128303 +1    17    16    15
  C     1.39629382 +1  120.0680966 +1   -0.8499547 +1    18    17    16
  C     1.53992889 +1  110.4751045 +1  -64.9937149 +1     9     1     2
  C     1.52663282 +1  113.8524728 +1  174.4003337 +1     9     1     2
  C     1.41915373 +1  110.8488288 +1   10.6903817 +1     6     1     2
  C     1.42755575 +1  124.0232625 +1 -128.9865913 +1     6     1     2
  C     1.42193322 +1  122.3107341 +1  166.1700029 +1     7     1     2
  C     1.42042037 +1  103.3502165 +1  -62.8381866 +1     7     1     2
  C     1.53719081 +1  112.3727785 +1  154.3070694 +1    10     1     2
  C     1.53949961 +1  114.1123027 +1   36.6748138 +1    10     1     2
  C     1.50511312 +1  115.4089759 +1  154.8626007 +1    27    10     1
  C     1.39686137 +1  119.3542860 +1 -104.6405548 +1    28    27    10
  C     1.39251746 +1  120.0786680 +1 -179.1021301 +1    29    28    27
  C     1.39397047 +1  120.0207249 +1    0.3748614 +1    30    29    28
  C     1.39379248 +1  119.9636902 +1    0.6763806 +1    31    30    29
  C     1.39555442 +1  120.7989305 +1   77.8041536 +1    28    27    10
  C     1.53097449 +1  111.6699068 +1  -88.5609990 +1    10     1     2
  C     1.41282996 +1   53.7788101 +1   59.9867245 +1     8     1     2
  C     1.41375597 +1   78.3813180 +1  -74.1068767 +1     8     1     2
  C     1.43028231 +1  130.3211624 +1  117.5026559 +1     4     1     2
  C     1.42091464 +1  109.6132341 +1  -93.4990076 +1     4     1     2
  C     1.52792671 +1  114.4235352 +1   55.4916994 +1     9     1     2
  C     1.18214222 +1  146.4884132 +1 -135.1938576 +1     3     1     2
  C     1.18300012 +1  135.5341922 +1  -97.7139788 +1     5     1     2
  C     1.18240540 +1  163.3193908 +1 -152.9813157 +1     2     1     3
  H     1.09303028 +1   85.4166846 +1   31.8222168 +1    14     9     1
  H     1.09081923 +1  119.8066139 +1 -132.9235168 +1    15    14     9
  H     1.08921858 +1  120.0545232 +1 -179.7231330 +1    16    15    14
  H     1.08897186 +1  119.9703947 +1  178.4950255 +1    17    16    15
  H     1.08818533 +1  119.4501840 +1  177.8114778 +1    18    17    16
  H     1.12317507 +1  108.4228421 +1   46.2729906 +1    20     9     1
  H     1.12009372 +1  108.8802961 +1  -66.7468147 +1    20     9     1
  H     1.12109829 +1  109.3116708 +1  -69.0433108 +1    21     9     1
  H     1.11621910 +1  111.0836404 +1  175.0910857 +1    21     9     1
  H     1.10745670 +1  110.3055226 +1  -83.1252381 +1    22     6     1
  H     1.11052749 +1  109.2385547 +1  156.9733810 +1    22     6     1
  H     1.10599191 +1  109.5037975 +1 -166.3142181 +1    23     6     1
  H     1.10904340 +1  109.3323012 +1   72.7131728 +1    23     6     1
  H     1.10708922 +1  108.8118970 +1 -168.3963056 +1    24     7     1
  H     1.10712768 +1  110.7453478 +1   70.5313990 +1    24     7     1
  H     1.10665416 +1  110.9446902 +1  -69.8149873 +1    25     7     1
  H     1.10927253 +1  109.6298770 +1  170.0299411 +1    25     7     1
  H     1.12593145 +1  108.7270342 +1  -77.1376900 +1    26    10     1
  H     1.11597757 +1  111.0577792 +1  167.1921053 +1    26    10     1
  H     1.12305826 +1  107.2133929 +1   32.2913330 +1    27    10     1
  H     1.11737292 +1  110.6490680 +1  -81.7467542 +1    27    10     1
  H     1.09327781 +1  120.4751262 +1    0.7143997 +1    29    28    27
  H     1.09077909 +1  119.7949475 +1 -179.7190120 +1    30    29    28
  H     1.08890981 +1  120.0343722 +1 -179.8913186 +1    31    30    29
  H     1.08875806 +1  119.9890539 +1  178.9354900 +1    32    31    30
  H     1.08756568 +1  120.5178956 +1    0.1000097 +1    33    28    27
  H     1.11988253 +1  108.1939715 +1  -39.3880729 +1    34    10     1
  H     1.11624858 +1  110.0071121 +1 -153.3022645 +1    34    10     1
  H     1.10103392 +1  111.7850007 +1  -74.2467322 +1    35     8     1
  H     1.11068819 +1  102.2726413 +1  171.0788276 +1    35     8     1
  H     1.10927963 +1  101.6105037 +1 -164.4861737 +1    36     8     1
  H     1.10658067 +1  111.8720362 +1   79.6784080 +1    36     8     1
  H     1.10363462 +1  111.3612900 +1  139.8778912 +1    37     4     1
  H     1.10925953 +1  106.5918851 +1   22.9172916 +1    37     4     1
  H     1.10883433 +1  108.9868175 +1  -86.7789852 +1    38     4     1
  H     1.11136703 +1  109.1835033 +1  154.5610647 +1    38     4     1
  H     1.11769841 +1  109.7684772 +1  -76.4846988 +1    39     9     1
  H     1.11837501 +1  110.8017769 +1  169.0286619 +1    39     9     1