Accuracy

Ce_(VAKJAS) r   6534 Cerium complex, CCDC: VAKJAS (Geo)

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    #  Species Formula
  6524 Cerium complex, CCDC: VAPCAQ (Geo)C24H21N10O9Ce
  6525 Cerium complex, CCDC: ZUNMAW (Geo)C16H24N11O9Ce
  6526 Cerium complex, CCDC: TIJCIY (Geo)C17H19N6O11Ce
  6527 Cerium complex, CCDC: HIXWEQ (Geo)C26H22N9O11Ce
  6528 Cerium complex, CCDC: HUMDOI (Geo)C10H10N10O12Ce
  6529 Cerium complex, CCDC: JAPPUL (Geo)C8H20N3O13Ce
  6530 Cerium complex, CCDC: JEXXOZ (Geo)C12H24N5O13Ce
  6531 Cerium complex, CCDC: BPNACE (Geo)C10H12N6O14Ce
  6532 Cerium complex, CCDC: HURRAN (Geo)C12H12O15Ce
  6533 Cerium complex, CCDC: OXDACE (Geo)C12H12O15Ce
  6534 Cerium complex, CCDC: VAKJAS (Geo) C12H24N3O15Ce
  6535 Cerium complex, CCDC: XOLMAM (Geo)H2N5O16Ce
  6536 Cerium complex, CCDC: NOJTAH (Geo)C32H40O8F12Ce
  6537 Cerium complex, CCDC: NOJTEL (Geo)C32H40O8F12Ce
  6538 Cerium complex, CCDC: PUTQAW (Geo)C24H24O12F12Ce
  6539 Cerium complex, CCDC: TADKEP (Geo)C36H63N6Si3Ce
  6540 Cerium complex, CCDC: KEGVEX (Geo)C66H69O6Si3Ce
  6541 Cerium complex, CCDC: AFURUO (Geo)C12H44O8P4Ce
  6542 Cerium complex, CCDC: UKAPEB (Geo)C50H44N3O13P4Ce
  6543 Cerium complex, CCDC: HIDLUB (Geo)C29H38N5O4S3Ce
  6544 Cerium complex, CCDC: PIDBAF (Geo)C11H20N3O6S3Ce


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
Cerium complex, CCDC: VAKJAS
 <Ce-O2> <Ce-O3> <> <Ce-O4> <> <> <Ce-O5> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.61326652 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.61910001 +1   69.4559830 +1    0.0000000 +0     1     2     0
  O     2.63131146 +1  128.3475215 +1   84.0657617 +1     1     2     3
  O     2.64287712 +1  131.0815227 +1  -96.5220351 +1     1     2     3
  O     2.13448306 +1  108.0280499 +1   63.9909116 +1     5     1     2
  O     2.13183049 +1  106.2588205 +1   68.4905810 +1     4     1     2
  O     2.15015801 +1  148.3612759 +1  155.8847399 +1     2     1     3
  O     3.31398197 +1   71.1595431 +1  179.4280591 +1     1     2     3
  O     3.27519118 +1   55.2148056 +1  -64.7368769 +1     1     2     3
  O     3.37449060 +1   54.7128955 +1  122.5742816 +1     1     2     3
  O     3.00559391 +1   68.0663250 +1  -82.8078122 +1    11     1     2
  O     2.92074201 +1   70.6303569 +1  -83.5144360 +1    10     1     2
  N     1.23435144 +1   33.6291183 +1  176.3377704 +1     6     5     1
  N     1.28825962 +1  178.4284252 +1  152.9550768 +1     2     1     3
  N     1.23317247 +1   33.8289626 +1  179.2650497 +1     7     4     1
  O     1.20253383 +1  126.1028883 +1  179.5064372 +1    14     6     5
  O     1.22291040 +1  117.0753634 +1 -176.4668817 +1    15     2     1
  O     1.20219363 +1  126.4063337 +1  179.3193850 +1    16     7     4
  C     1.42992473 +1  129.7240082 +1   82.6365428 +1    13    10     1
  C     1.41789781 +1  110.9854669 +1   88.3386719 +1     9     1     2
  C     1.42758773 +1  112.9188723 +1  -43.5514019 +1     9     1     2
  C     1.42194196 +1  107.5704761 +1  119.6596393 +1    11     1     2
  C     1.42524505 +1  109.4175413 +1 -113.1053948 +1    11     1     2
  C     1.42995271 +1   49.1596987 +1  164.0663421 +1    12    11     1
  C     1.42638504 +1  124.7071182 +1   71.6382011 +1    12    11     1
  C     1.44715524 +1  117.5050934 +1   94.8151759 +1     3     1     2
  C     1.45902227 +1  123.5393670 +1  -53.9373530 +1     3     1     2
  C     1.41909702 +1   97.0497290 +1  118.0774158 +1    10     1     2
  C     1.42275692 +1  113.2512789 +1 -117.9252834 +1    10     1     2
  C     1.42986879 +1   51.3789990 +1  169.8462653 +1    13    10     1
  H     1.10529281 +1  108.1547466 +1  121.4447357 +1    20    13    10
  H     1.11112132 +1  109.1244617 +1    3.1103154 +1    20    13    10
  H     1.11011969 +1  102.3973409 +1   61.4873300 +1    21     9     1
  H     1.10524529 +1  109.1539731 +1  176.2614668 +1    21     9     1
  H     1.10158551 +1  109.2154497 +1 -176.4568620 +1    22     9     1
  H     1.11286803 +1  108.5948844 +1   63.4447481 +1    22     9     1
  H     1.10400414 +1  110.0050419 +1  174.6332139 +1    23    11     1
  H     1.10717574 +1  109.0536620 +1   54.8491202 +1    23    11     1
  H     1.10733556 +1  108.9500160 +1  -47.5824604 +1    24    11     1
  H     1.10284670 +1  110.2148999 +1 -167.4601657 +1    24    11     1
  H     1.11052875 +1  110.9157995 +1  -83.3800570 +1    25    12    11
  H     1.10434004 +1  106.8211341 +1  157.0692982 +1    25    12    11
  H     1.10622194 +1  107.1167610 +1  134.2195596 +1    26    12    11
  H     1.11145096 +1  110.7778729 +1   15.4371608 +1    26    12    11
  H     1.10379253 +1  108.6207997 +1  166.7311019 +1    27     3     1
  H     1.10976458 +1  103.2253272 +1   51.6670241 +1    27     3     1
  H     1.10221994 +1  107.8616456 +1 -165.8239187 +1    28     3     1
  H     1.11410969 +1  105.8915982 +1   74.7966384 +1    28     3     1
  H     1.10535818 +1  109.7537713 +1  178.1799819 +1    29    10     1
  H     1.10703932 +1  110.3433768 +1   58.8579487 +1    29    10     1
  H     1.10620751 +1  109.4970997 +1  -45.1313073 +1    30    10     1
  H     1.10323370 +1  110.0545918 +1 -165.5685510 +1    30    10     1
  H     1.11182784 +1  109.6813922 +1  -83.0666739 +1    31    13    10
  H     1.10363230 +1  107.6053862 +1  157.1477931 +1    31    13    10