Accuracy

Ce_(FILKEQ) r   6522 Cerium complex, CCDC: FILKEQ (Geo)

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    #  Species Formula
  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
  6517 Cerium complex, CCDC: MIPTAG (Geo)C27H27N4O3Ce
  6518 Cerium complex, CCDC: GACJIE (Geo)C39H51N4O3Ce
  6519 Cerium complex, CCDC: APSBCE (Geo)C22H30N14O4Ce
  6520 Cerium complex, CCDC: PEKWEH (Geo)C27H11N2O6Ce
  6521 Cerium complex, CCDC: LIFHUD (Geo)C38H26N12O6Ce
  6522 Cerium complex, CCDC: FILKEQ (Geo) C22H28N8O7Ce
  6523 Cerium complex, CCDC: GINNUM (Geo)C8H26O9Ce
  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


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=+1
Cerium complex, CCDC: FILKEQ
 <Ce-O2> <Ce-N3> <> <Ce-N4> <> <> <> <> <> <> <> <> <Ce-O5> <> <> <Ce-N8> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.53890046 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.60120031 +1   71.8596318 +1    0.0000000 +0     1     2     0
  N     2.61581175 +1   99.6512897 +1 -125.3790794 +1     1     2     3
  O     2.13963519 +1  104.5493680 +1   92.3419984 +1     2     1     3
  N     2.79391333 +1   70.0213214 +1  -54.4450374 +1     4     1     2
  N     2.62890029 +1  116.2859850 +1  -14.9434317 +1     6     4     1
  N     2.64640000 +1   98.4582689 +1  -58.6183991 +1     1     2     3
  O     3.01973069 +1  129.1404479 +1  157.8442491 +1     1     2     3
  O     2.93822949 +1  131.9830385 +1   66.8663139 +1     1     2     3
  N     2.88662957 +1   67.4539470 +1   63.8059582 +1     3     1     2
  O     2.12748806 +1   79.5177797 +1 -144.6360838 +1    10     1     2
  C     2.45381773 +1  150.7907418 +1   58.3868871 +1     8     1     2
  C     1.30098290 +1  120.8329581 +1   65.3503393 +1     8     1     2
  C     1.37721098 +1  119.0634067 +1 -115.7097901 +1     3     1     2
  C     1.39187666 +1  122.4277545 +1 -172.6037994 +1    15     3     1
  C     1.39762867 +1  119.3253742 +1   -0.6484168 +1    16    15     3
  C     1.38460559 +1  118.7105340 +1   -2.8079111 +1    17    16    15
  C     1.36633794 +1  123.5593182 +1   64.3316145 +1     3     1     2
  C     1.28474637 +1   60.3792661 +1 -166.5622623 +1    11     3     1
  C     1.49158529 +1  124.1830176 +1  169.6542032 +1    20    11     3
  C     1.45471742 +1  169.3595065 +1  -43.1596707 +1    11     3     1
  C     1.45970799 +1  169.7267685 +1  -14.4657290 +1     7     6     4
  C     2.48327375 +1   94.6260065 +1 -178.6272937 +1     7     6     4
  C     1.28738925 +1   65.7961907 +1 -179.4771636 +1     7     6     4
  C     1.34697832 +1  179.9972222 +1  -68.9567317 +1     6     4     1
  C     1.40423846 +1  122.0413415 +1 -129.1216736 +1    26     6     4
  C     1.38880529 +1  118.5796238 +1   -0.8399961 +1    27    26     6
  C     1.39701082 +1  119.5260120 +1    2.2441204 +1    28    27    26
  C     1.39925164 +1  118.9639637 +1   -1.4427016 +1    29    28    27
  C     2.53997968 +1   88.6021818 +1  177.6408625 +1    30    29    28
  C     1.30546689 +1  129.5484568 +1  -36.9920109 +1     4     1     2
  C     1.47781042 +1  107.8857799 +1  129.5423701 +1     4     1     2
  C     1.46838853 +1  117.2273158 +1 -106.5398073 +1     8     1     2
  N     1.23408945 +1   33.2256378 +1  179.7876776 +1     5     2     1
  N     1.27708763 +1  112.1373489 +1 -145.6441817 +1    10     1     2
  H     1.09978367 +1  142.1393168 +1    4.6819671 +1    13     8     1
  H     1.10946571 +1   98.1192967 +1  133.2418249 +1    13     8     1
  H     1.10710226 +1   95.1177185 +1 -119.1228424 +1    13     8     1
  H     1.09841673 +1  115.5806029 +1 -169.3687037 +1    21    20    11
  H     1.10836886 +1  110.9277868 +1  -50.8749359 +1    21    20    11
  H     1.10393353 +1  111.2243549 +1   68.0056444 +1    21    20    11
  H     1.11502766 +1  111.0361456 +1  179.9648704 +1    22    11     3
  H     1.12047363 +1  107.0016005 +1  -26.8726657 +1    23     7     6
  H     1.10901595 +1  114.5543639 +1 -144.1121960 +1    23     7     6
  H     1.09966191 +1  136.6957927 +1  -29.6928591 +1    24     7     6
  H     1.10359771 +1  104.2106443 +1  107.0523082 +1    24     7     6
  H     1.10438910 +1   93.0373279 +1 -144.5433896 +1    24     7     6
  H     1.10229150 +1  144.2075663 +1  152.3993674 +1    31    30    29
  H     1.10439365 +1   98.8498601 +1  -68.5582752 +1    31    30    29
  H     1.11011264 +1  114.4448946 +1  176.9181326 +1    33     4     1
  H     1.12066953 +1  106.8988234 +1   61.7902870 +1    33     4     1
  H     1.11588178 +1  111.6576611 +1 -135.7990771 +1    34     8     1
  H     1.11700200 +1  109.7258487 +1  105.5926879 +1    34     8     1
  H     1.09330324 +1  121.7585572 +1  179.0130391 +1    16    15     3
  H     1.09651841 +1  120.3759863 +1  178.5558082 +1    17    16    15
  H     1.09471207 +1  119.3817783 +1  178.8136954 +1    18    17    16
  H     1.09264523 +1  121.1556718 +1 -179.5053772 +1    27    26     6
  H     1.09694326 +1  120.3999023 +1 -178.0315098 +1    28    27    26
  H     1.09105334 +1  119.0657840 +1  178.7001587 +1    29    28    27
  H     1.10628296 +1   90.3131471 +1   38.6601698 +1    31    30    29
  H     0.96159036 +1  113.0429321 +1  -47.5702513 +1     9     1     2
  H     0.95920975 +1  137.7332612 +1  108.4166156 +1     9     1     2
  O     1.20576789 +1  121.8175483 +1 -178.0185683 +1    36    10     1
  O     1.20810462 +1  125.8123769 +1 -179.6286619 +1    35     5     2
  H     1.12016359 +1  109.9317073 +1  -61.5714686 +1    22    11     3