Accuracy

Ce_(VAPCAQ) r   6524 Cerium complex, CCDC: VAPCAQ (Geo)

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    #  Species Formula
  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
  6533 Cerium complex, CCDC: OXDACE (Geo)C12H12O15Ce
  6534 Cerium complex, CCDC: VAKJAS (Geo)C12H24N3O15Ce


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: VAPCAQ
 <Ce-O2> <Ce-O3> <> <> <> <> <Ce-N5> <> <> <Ce-O6> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.55896470 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.57648946 +1  107.3787914 +1    0.0000000 +0     1     2     0
  O     2.14212557 +1  130.9787180 +1 -149.9348580 +1     2     1     3
  N     2.60419997 +1   96.7281041 +1  147.2441780 +1     1     2     3
  O     2.60880008 +1  106.1995705 +1 -122.4048360 +1     1     2     3
  O     2.14109785 +1  123.3333078 +1  -87.5126158 +1     3     1     2
  O     2.14275423 +1  118.2958503 +1  -36.8279090 +1     6     1     2
  N     3.22435622 +1   85.9522610 +1   67.4372620 +1     1     2     3
  N     3.18287429 +1  179.9968962 +1  -30.9868557 +1     1     2     3
  N     2.92193914 +1   70.6166479 +1  128.2747899 +1    10     1     2
  N     1.22097889 +1   33.1856496 +1  166.8261482 +1     4     2     1
  N     1.30101993 +1  153.9480334 +1  -92.8559382 +1     3     1     2
  N     1.30199923 +1  149.0760174 +1  -36.4628569 +1     6     1     2
  O     1.21190408 +1  117.5444790 +1  179.9421145 +1    14     6     1
  O     1.20916153 +1  126.4290567 +1 -179.3821054 +1    12     4     2
  O     1.21223936 +1  117.5757972 +1 -171.0339698 +1    13     3     1
  N     2.27711560 +1  164.4148598 +1 -153.4974028 +1     5     1     2
  N     2.26748423 +1  157.4809424 +1  101.4214119 +1    10     1     2
  N     2.26797310 +1  159.4568999 +1  164.8386966 +1     9     1     2
  C     1.42397174 +1  124.4540567 +1   30.7742477 +1     5     1     2
  C     1.39994428 +1  131.3454656 +1   -1.4308148 +1    21     5     1
  C     1.38428621 +1  117.5840310 +1  179.2768300 +1    22    21     5
  C     1.41019480 +1  122.1887660 +1    0.2294182 +1    23    22    21
  C     1.38503848 +1  121.4126258 +1    0.1171413 +1    24    23    22
  C     1.40669739 +1   73.8775442 +1 -175.9085563 +1    18     5     1
  C     1.36025405 +1  130.1515557 +1 -150.8989714 +1     5     1     2
  C     1.50355257 +1  127.7135309 +1   -1.2038179 +1    27     5     1
  C     1.39982039 +1  130.3311301 +1  -70.8502101 +1    10     1     2
  C     1.40022717 +1  130.6696398 +1   -4.5853371 +1    29    10     1
  C     1.38212959 +1  117.0034471 +1  179.7168255 +1    30    29    10
  C     1.41251742 +1  121.9819631 +1    0.1934135 +1    31    30    29
  C     1.38464572 +1  122.0264137 +1    0.5251353 +1    32    31    30
  C     1.43131791 +1  108.5410756 +1  175.9906011 +1    29    10     1
  C     1.34167679 +1  122.5456203 +1  105.2648847 +1    10     1     2
  C     1.48641663 +1   59.5098331 +1 -136.4045527 +1    11    10     1
  C     1.40400274 +1   73.4890308 +1  152.3572171 +1    20     9     1
  C     1.39658451 +1  132.1891133 +1  179.9883287 +1    37    20     9
  C     1.38415017 +1  116.6011328 +1 -179.7781064 +1    38    37    20
  C     1.41250730 +1  121.9451682 +1    0.2022529 +1    39    38    37
  C     1.38295353 +1  121.9708613 +1   -0.2132245 +1    40    39    38
  C     1.40035060 +1  117.2205892 +1   -0.0393441 +1    41    40    39
  C     1.40046846 +1   33.2698517 +1  -26.6299157 +1    20     9     1
  C     1.49851671 +1  121.3384877 +1 -175.7871840 +1    43    20     9
  H     0.99713290 +1  161.0430643 +1   -1.2930616 +1    18     5     1
  H     0.99557616 +1  159.4819456 +1  -18.1057393 +1    19    10     1
  H     1.09531566 +1  122.4374976 +1   -1.6669852 +1    22    21     5
  H     1.09513768 +1  118.9980918 +1 -179.9552678 +1    23    22    21
  H     1.09247101 +1  118.8262227 +1 -179.8785961 +1    24    23    22
  H     1.08528374 +1  121.8083587 +1  179.9122526 +1    25    24    23
  H     1.12686053 +1  107.6410471 +1  -78.2554187 +1    28    27     5
  H     1.11285491 +1  111.3066828 +1  167.0209018 +1    28    27     5
  H     1.10080775 +1  121.0227916 +1   -1.3386478 +1    30    29    10
  H     1.09307611 +1  119.2378316 +1 -179.9306545 +1    31    30    29
  H     1.09196077 +1  118.4695739 +1 -179.5611604 +1    32    31    30
  H     1.08444165 +1  121.8633575 +1  179.7619993 +1    33    32    31
  H     1.13298783 +1  106.2611186 +1  101.3573806 +1    36    11    10
  H     1.11157837 +1  113.3356568 +1 -141.5958840 +1    36    11    10
  H     0.99379737 +1  160.8817666 +1  -18.6939699 +1    20     9     1
  H     1.08473954 +1  121.5087981 +1    0.3763467 +1    38    37    20
  H     1.09201289 +1  119.5417153 +1 -179.7378587 +1    39    38    37
  H     1.09281405 +1  118.6197330 +1  179.9696177 +1    40    39    38
  H     1.09054795 +1  121.6718215 +1  179.8543839 +1    41    40    39
  H     1.12284765 +1  107.4470192 +1   92.1785815 +1    44    43    20
  H     1.11417593 +1  111.0073211 +1  -23.3771937 +1    44    43    20