Accuracy

Ce_(GIFCUT) r   6515 Cerium complex, CCDC: GIFCUT (Geo)

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    #  Species Formula
  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
  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


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: GIFCUT
 <Ce-O2> <Ce-O3> <> <Ce-N4> <> <> <Ce-N5> <> <> <Ce-N6> <> <> <Ce-N7> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.39739983 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.40599993 +1   65.9908046 +1    0.0000000 +0     1     2     0
  N     2.58305146 +1   97.8186019 +1 -147.1316563 +1     1     2     3
  N     2.61699463 +1  147.0696726 +1  -71.5279678 +1     1     2     3
  N     2.63281065 +1  119.8620301 +1   63.0437793 +1     1     2     3
  N     2.63413043 +1   79.6335584 +1  126.0849900 +1     1     2     3
  N     3.45042970 +1  141.4375108 +1  151.7593804 +1     1     2     3
  N     3.41514824 +1   81.6293149 +1  -82.8164388 +1     1     2     3
  B     2.59274208 +1   96.8021111 +1  117.8092498 +1     4     1     2
  B     2.52864178 +1   80.4056655 +1  -68.7304009 +1     8     1     2
  N     1.36724136 +1  125.8990312 +1  -57.4880403 +1     5     1     2
  N     1.36844657 +1  126.4547593 +1  122.1818254 +1     4     1     2
  N     1.36527059 +1  127.4270497 +1 -156.4446525 +1     7     1     2
  N     1.36530500 +1  127.3248773 +1   97.4179522 +1     6     1     2
  N     1.35569267 +1  110.8419928 +1 -144.8860803 +1     9     1     2
  N     1.35536554 +1  111.7570261 +1  -69.6073020 +1     8     1     2
  C     1.35828246 +1  141.7446031 +1   36.4352660 +1     9     1     2
  C     1.42176513 +1  109.6608979 +1  178.6836169 +1    18     9     1
  C     1.37882609 +1  110.3218544 +1 -179.1163656 +1    16     9     1
  C     1.38127251 +1  126.7068309 +1  -66.7201719 +1     4     1     2
  C     1.40335346 +1  110.1221533 +1 -172.7776458 +1    21     4     1
  C     1.36336639 +1  110.2873679 +1  172.7846949 +1    13     4     1
  C     1.37952723 +1  127.0501091 +1  132.4669970 +1     5     1     2
  C     1.40441873 +1  110.0665095 +1  171.9016419 +1    24     5     1
  C     1.36437396 +1  110.2941824 +1 -171.9731493 +1    12     5     1
  C     1.35685788 +1  140.7978097 +1  113.0427866 +1     8     1     2
  C     1.42296019 +1  109.6719032 +1  177.3999308 +1    27     8     1
  C     1.38022685 +1  110.3531726 +1 -178.2281407 +1    17     8     1
  C     1.37963321 +1  125.9184067 +1   21.6945399 +1     7     1     2
  C     1.40385143 +1  109.9511831 +1 -178.9840842 +1    30     7     1
  C     1.36398899 +1  110.2424550 +1  178.9271075 +1    14     7     1
  C     1.38019167 +1  126.0624942 +1  -81.5787394 +1     6     1     2
  C     1.40354440 +1  109.9666391 +1  179.7646375 +1    33     6     1
  C     1.36387432 +1  110.2481148 +1 -179.7096993 +1    15     6     1
  C     2.33762079 +1  178.2959907 +1   26.0442368 +1     3     1     2
  C     1.26072886 +1  143.3032233 +1   -1.3062756 +1     3     1     2
  C     1.40155103 +1  122.2365005 +1   -1.2726667 +1    37     3     1
  C     1.26206010 +1  143.3433599 +1    5.4567469 +1     2     1     3
  C     1.49542586 +1  115.7240868 +1  174.0018375 +1    39     2     1
  H     1.22969013 +1  131.4678146 +1  163.4487896 +1    10     4     1
  H     1.22978651 +1  133.5934419 +1  179.9185634 +1    11     8     1
  H     1.07240166 +1  121.8383440 +1   -1.3444682 +1    18     9     1
  H     1.06419355 +1  127.0883142 +1 -179.9844426 +1    19    18     9
  H     1.07209866 +1  123.1484921 +1  179.9915457 +1    20    16     9
  H     1.07566896 +1  121.1612318 +1    6.1890499 +1    21     4     1
  H     1.06512193 +1  127.8232425 +1  179.7172708 +1    22    21     4
  H     1.07470931 +1  123.2585458 +1  179.9809251 +1    23    13     4
  H     1.07571357 +1  121.1687466 +1   -7.0872692 +1    24     5     1
  H     1.06507520 +1  127.7672189 +1 -179.7227525 +1    25    24     5
  H     1.07446087 +1  123.2419246 +1 -179.9505593 +1    26    12     5
  H     1.07276662 +1  121.7278959 +1   -2.6208128 +1    27     8     1
  H     1.06414898 +1  126.9665128 +1 -179.9633284 +1    28    27     8
  H     1.07153733 +1  123.1143584 +1 -179.9952583 +1    29    17     8
  H     1.07713219 +1  120.8280140 +1    0.0604321 +1    30     7     1
  H     1.06476006 +1  127.9111019 +1 -179.7769124 +1    31    30     7
  H     1.07479074 +1  123.2883847 +1  179.7585360 +1    32    14     7
  H     1.07676512 +1  120.9084697 +1    0.7518281 +1    33     6     1
  H     1.06486578 +1  127.9248764 +1  179.7176265 +1    34    33     6
  H     1.07483578 +1  123.2896156 +1 -179.7470364 +1    35    15     6
  H     1.09441864 +1  141.9886149 +1  -15.8893400 +1    36     3     1
  H     1.10229991 +1   97.2241826 +1 -147.7494386 +1    36     3     1
  H     1.10070229 +1   90.9711138 +1  105.7820097 +1    36     3     1
  H     1.07948593 +1  118.6998190 +1 -178.0091372 +1    38    37     3
  H     1.09440348 +1  113.4019672 +1  179.8161866 +1    40    39     2
  H     1.10051429 +1  110.6224722 +1   58.3015708 +1    40    39     2
  H     1.10260611 +1  110.3245099 +1  -58.8946140 +1    40    39     2