Accuracy

Ce_(JEXXOZ) r   6530 Cerium complex, CCDC: JEXXOZ (Geo)

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    #  Species Formula
  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
  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


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
Cerium complex, CCDC: JEXXOZ
 <Ce-O2> <Ce-O3> <> <Ce-O4> <> <> <> <> <> <> <> <> <Ce-N7> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.63280187 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.63839413 +1   93.7937687 +1    0.0000000 +0     1     2     0
  O     2.64402010 +1  133.5809915 +1 -178.7877925 +1     1     2     3
  O     2.15332238 +1  166.6291366 +1  -34.6970148 +1     2     1     3
  O     2.15291058 +1  147.9226216 +1  -41.0386047 +1     4     1     2
  N     2.67650030 +1   96.6451856 +1 -103.6061663 +1     1     2     3
  O     2.15368221 +1  166.3736458 +1  -30.8357497 +1     3     1     2
  N     2.47485399 +1  104.0595713 +1   98.8877359 +1     1     2     3
  O     4.06541875 +1  155.0374692 +1   63.9621614 +1     1     2     3
  O     3.62528794 +1  146.1880441 +1  -62.7129841 +1     1     2     3
  O     3.99374579 +1   77.2105983 +1 -156.1196269 +1     1     2     3
  O     3.36940843 +1   58.3290387 +1  -76.4117435 +1    12     1     2
  N     1.22157257 +1   31.4609438 +1  179.5274949 +1     5     2     1
  N     1.22150902 +1   31.4158824 +1  175.6092414 +1     8     3     1
  N     1.23125479 +1   31.0747790 +1 -179.4269262 +1     6     4     1
  O     1.22793672 +1  123.5960561 +1  179.8776109 +1    14     5     2
  O     1.23039214 +1  122.2898944 +1  179.7223881 +1    16     6     4
  O     1.22839192 +1  123.5639615 +1  179.9479897 +1    15     8     3
  C     1.42060888 +1   83.2190461 +1  -47.9796776 +1    12     1     2
  C     1.42514639 +1   35.1208329 +1 -148.5765744 +1    13    12     1
  C     1.43039727 +1  127.1020648 +1  -70.3871237 +1    13    12     1
  C     1.45496570 +1  118.5927543 +1   38.6746863 +1     9     1     2
  C     1.46663895 +1  122.1836685 +1 -173.2311123 +1     9     1     2
  C     1.42608664 +1   68.5355913 +1    6.0144425 +1    10     1     2
  C     1.42083747 +1   80.4438225 +1 -117.7667776 +1    10     1     2
  C     1.42486911 +1   99.2404467 +1  173.2652202 +1    11     1     2
  C     1.43134772 +1   89.9179881 +1  -73.1331999 +1    11     1     2
  C     1.56613708 +1  106.1828967 +1   55.4351019 +1    28    11     1
  C     1.45988304 +1  120.5090039 +1  -79.0496737 +1     7     1     2
  C     1.42709928 +1   73.7688285 +1   72.1534267 +1    12     1     2
  H     1.10017095 +1  106.6831625 +1  164.4401571 +1    20    12     1
  H     1.10644439 +1  113.0153951 +1   46.0131957 +1    20    12     1
  H     1.09764311 +1  107.5845025 +1 -155.4933434 +1    21    13    12
  H     1.11472403 +1  111.0010319 +1   85.4448476 +1    21    13    12
  H     1.10749237 +1  111.1179474 +1   -6.2830867 +1    22    13    12
  H     1.09526416 +1  107.0531875 +1 -125.9436090 +1    22    13    12
  H     1.11363616 +1  108.2392178 +1  -54.5367617 +1    23     9     1
  H     1.10756880 +1  113.0494876 +1 -171.2001483 +1    23     9     1
  H     1.11818206 +1  110.2080736 +1  -65.3514519 +1    24     9     1
  H     1.10766961 +1  112.0402812 +1  176.6865369 +1    24     9     1
  H     1.10085042 +1  113.1555816 +1  -58.7389528 +1    25    10     1
  H     1.09991649 +1  104.8436158 +1 -175.8099770 +1    25    10     1
  H     1.10086904 +1  105.7297433 +1  164.6563632 +1    26    10     1
  H     1.10592954 +1  113.3300496 +1   46.8945393 +1    26    10     1
  H     1.09781149 +1  107.8507764 +1  173.4387984 +1    27    11     1
  H     1.11391019 +1  110.8755603 +1   54.4741938 +1    27    11     1
  H     1.10652394 +1  110.8950489 +1  -64.7579634 +1    28    11     1
  H     1.09486464 +1  107.2365120 +1  175.5321298 +1    28    11     1
  H     1.11395141 +1  108.1751257 +1   26.4554133 +1    29    28    11
  H     1.10831744 +1  107.4991813 +1  140.3116058 +1    29    28    11
  H     1.11794762 +1  110.9482286 +1  -66.6872230 +1    30     7     1
  H     1.10875594 +1  112.2561055 +1  174.6978749 +1    30     7     1
  H     1.10093533 +1  112.8491769 +1  -55.2022985 +1    31    12     1
  H     1.09896516 +1  105.8526314 +1 -173.2070221 +1    31    12     1