Accuracy

Ce_(HURRAN) r   6532 Cerium complex, CCDC: HURRAN (Geo)

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    #  Species Formula
  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
  6541 Cerium complex, CCDC: AFURUO (Geo)C12H44O8P4Ce
  6542 Cerium complex, CCDC: UKAPEB (Geo)C50H44N3O13P4Ce


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=-3
Cerium complex, CCDC: HURRAN
 <Ce-O2> <Ce-O3> <> <Ce-O4> <> <> <Ce-O5> <> <> <Ce-O6> <> <> <Ce-O7> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.47528359 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.47530036 +1   80.0030963 +1    0.0000000 +0     1     2     0
  O     2.49161851 +1   98.3603770 +1  168.2424973 +1     1     2     3
  O     2.49169995 +1  164.4525933 +1  -56.9424233 +1     1     2     3
  O     2.50221226 +1   82.9225629 +1  -99.7602747 +1     1     2     3
  O     2.50222761 +1   97.7157054 +1   81.9620625 +1     1     2     3
  O     3.35660065 +1  142.7837748 +1 -175.6641881 +1     1     2     3
  O     2.49788741 +1   79.4416253 +1  -82.3770676 +1     2     1     3
  O     2.50063382 +1   79.0548823 +1  -81.7273604 +1     3     1     2
  C     1.40880837 +1  162.1624402 +1   74.0052507 +1     9     2     1
  C     1.26192368 +1  151.9145315 +1   -7.8784205 +1     7     1     2
  O     2.23666697 +1  173.7810928 +1  -58.8014464 +1     2     1     3
  C     1.42376296 +1   68.0724602 +1  165.4946995 +1     9     2     1
  C     1.22536826 +1   26.0105815 +1  -15.3980829 +1    13     2     1
  O     2.23631989 +1  173.4077819 +1  -58.9598792 +1     3     1     2
  C     1.39913024 +1  119.2776645 +1  -34.0160854 +1     8     1     2
  C     1.25961768 +1  154.5666791 +1  177.6471322 +1     4     1     2
  O     1.22371749 +1  128.5094073 +1  173.4295809 +1    18     4     1
  H     1.08492699 +1  112.8973220 +1  152.1198011 +1    11     9     2
  H     1.09669236 +1  112.4264236 +1   24.8079995 +1    11     9     2
  H     1.09842542 +1  111.1251835 +1 -111.9698763 +1    14     9     2
  H     1.09536976 +1  109.7495521 +1  126.2138043 +1    14     9     2
  H     1.09646304 +1  111.1117635 +1 -103.1650713 +1    17     8     1
  H     1.09202954 +1  112.7354631 +1  132.7048139 +1    17     8     1
  C     1.40872890 +1  162.1868857 +1   74.1570100 +1    10     3     1
  C     1.26195744 +1  151.2307671 +1   71.5272736 +1     6     1     2
  C     1.22503208 +1   25.9785807 +1  -15.5815072 +1    16     3     1
  C     1.42339343 +1   68.0533816 +1  166.0589194 +1    10     3     1
  H     1.09822971 +1  111.1341920 +1 -111.8940023 +1    29    10     3
  H     1.09528196 +1  109.7346754 +1  126.2191543 +1    29    10     3
  O     2.23790596 +1  179.9974392 +1 -113.5845863 +1     5     1     2
  C     1.22387529 +1   26.0618891 +1  -13.9877830 +1    32     5     1
  C     1.39887337 +1  119.3221580 +1  151.0444361 +1     8     1     2
  H     1.09628199 +1  110.4074743 +1 -103.0906096 +1    34     8     1
  H     1.09141006 +1  113.3413948 +1  132.8387003 +1    34     8     1
  O     1.22140050 +1  129.8858142 +1  178.2252698 +1    12     7     1
  O     1.22230949 +1  129.7542359 +1  176.8300127 +1    27     6     1
  H     1.08586426 +1  112.7343968 +1  152.1875185 +1    26    10     3
  H     1.09616690 +1  112.5055257 +1   25.0449297 +1    26    10     3