Accuracy

La_(CUMCES) r   6506 Lanthanum complex, CCDC: CUMCES (Geo)

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    #  Species Formula
  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
  6514 Cerium complex, CCDC: XONYAA (Geo)C45H33N9Ce
  6515 Cerium complex, CCDC: GIFCUT (Geo)C23H27B2N12O2Ce
  6516 Cerium complex, CCDC: GIFCUT10 (Geo)C23H27B2N12O2Ce


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 CHARGE=-2.0
Lanthanum complex, CCDC: CUMCES
 <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     2.52859970 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.53557343 +1   92.3365909 +1    0.0000000 +0     1     2     0
  O     2.56194981 +1   98.7919359 +1   87.8795458 +1     1     2     3
  O     2.56320504 +1  143.0822518 +1 -158.6714116 +1     1     2     3
  O     2.57000000 +1   72.4398025 +1 -159.4062835 +1     1     2     3
  O     2.60117642 +1   86.1393943 +1  -72.3356399 +1     1     2     3
  O     2.21144139 +1  101.1868513 +1   63.3062735 +1     4     1     2
  O     2.21661434 +1  111.3024508 +1   11.4708422 +1     5     1     2
 La     3.14557666 +1  110.0109397 +1   92.9506575 +1     2     1     3
  O     2.20745737 +1   91.5170856 +1 -179.6694552 +1     3     1     2
  O     2.19700318 +1  105.8080759 +1   22.0063610 +1     7     1     2
  O     2.31091153 +1   72.5166906 +1   80.7068444 +1    10     2     1
  O     5.16550757 +1   58.2039956 +1  -77.0794603 +1    10     2     1
  O     2.18922712 +1  156.9466800 +1 -171.2632834 +1     2     1     3
  O     3.90033357 +1  127.7758755 +1  -29.1601188 +1    10     2     1
  O     2.21108826 +1  105.5678728 +1  123.9327231 +1    13    10     2
  O     2.21366485 +1   28.4002815 +1  136.0820050 +1    16    10     2
  O     2.15179045 +1  110.2180838 +1 -166.6075739 +1    10     2     1
  O     2.19572220 +1  172.0636614 +1 -153.8508530 +1    19    10     2
  C     1.22439570 +1   28.9106120 +1 -176.5926901 +1    11     3     1
  C     1.51556228 +1  121.3225400 +1 -179.8511751 +1    21    11     3
  C     1.22702071 +1   27.9253259 +1  174.8066752 +1     8     4     1
  C     1.52524526 +1  119.8766437 +1  179.6784576 +1    23     8     4
  C     1.25723875 +1  137.7462690 +1   19.5486920 +1     5     1     2
  C     1.51874396 +1  115.7686893 +1  163.9161649 +1    25     5     1
  C     1.24470634 +1  125.5269101 +1   46.5919429 +1     7     1     2
  C     1.49594370 +1  120.9538416 +1  127.1548301 +1    27     7     1
  C     1.22931602 +1   29.5089986 +1   74.8530849 +1    15     2     1
  C     1.50946396 +1  120.1982367 +1  178.4625853 +1    29    15     2
  C     1.21934865 +1   29.5441850 +1 -142.4170266 +1    17    13    10
  C     1.21802125 +1   56.5765068 +1  130.7260390 +1    16    10     2
  C     1.21615484 +1   30.0570478 +1   96.8191899 +1    20    19    10
  C     1.50622603 +1  122.5270012 +1 -179.7300328 +1    31    17    13
  C     1.51687233 +1  121.6503672 +1 -175.1877651 +1    32    16    10
  C     1.50465519 +1  122.6656328 +1  179.7843240 +1    33    20    19
  H     0.97447808 +1   85.6249388 +1   36.2550907 +1    14    10     2
  H     1.00868620 +1  110.1958044 +1  167.6965301 +1     6     1     2
  H     0.97575473 +1  122.8145604 +1   36.9588517 +1     6     1     2
  H     1.09531829 +1  109.9424105 +1 -118.9076727 +1    22    21    11
  H     1.09920581 +1  110.3235926 +1  123.3547472 +1    22    21    11
  H     1.09099437 +1  111.2040066 +1    2.1611069 +1    22    21    11
  H     1.09182496 +1  109.6915369 +1   63.1811063 +1    24    23     8
  H     1.09133821 +1  110.0195718 +1  -55.9485828 +1    24    23     8
  H     1.09406504 +1  110.6756616 +1 -176.6628272 +1    24    23     8
  H     1.09403285 +1  110.0222614 +1   56.5273825 +1    26    25     5
  H     1.09575020 +1  109.5621999 +1  -61.6442152 +1    26    25     5
  H     1.09178869 +1  111.1111785 +1  177.7233572 +1    26    25     5
  H     1.09921788 +1  110.9798560 +1 -132.2300007 +1    28    27     7
  H     1.10718150 +1  109.1497173 +1  109.6365590 +1    28    27     7
  H     1.09501594 +1  111.8350574 +1  -10.2916966 +1    28    27     7
  H     0.96040325 +1   16.8817569 +1 -159.7326091 +1    14    10     2
  H     1.09440326 +1  111.4213789 +1 -128.2693510 +1    30    29    15
  H     1.10413436 +1  111.3598657 +1  111.9737719 +1    30    29    15
  H     1.09282379 +1  110.9058035 +1   -7.3559415 +1    30    29    15
  H     1.10513563 +1  108.9437692 +1 -107.9581526 +1    34    31    17
  H     1.09814329 +1  111.8982571 +1  134.3356134 +1    34    31    17
  H     1.09132549 +1  111.5222085 +1   11.6159956 +1    34    31    17
  H     1.09346546 +1  110.1702065 +1   45.4079951 +1    35    32    16
  H     1.09320831 +1  109.8930176 +1  -74.1263513 +1    35    32    16
  H     1.09773987 +1  110.9747289 +1  166.0567354 +1    35    32    16
  H     1.10286062 +1  111.4426571 +1  114.6992798 +1    36    33    20
  H     1.09215059 +1  111.1117444 +1   -5.8953377 +1    36    33    20
  H     1.10437193 +1  111.6222745 +1 -126.7188612 +1    36    33    20