Accuracy

Ce_(OXDACE) r   6533 Cerium complex, CCDC: OXDACE (Geo)

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    #  Species Formula
  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
  6543 Cerium complex, CCDC: HIDLUB (Geo)C29H38N5O4S3Ce


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: OXDACE
 <Ce-O2> <Ce-O2> <> <Ce-O2> <> <> <Ce-O2> <> <> <Ce-O2> <> <> <Ce-O2> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.47149985 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.47149987 +1   95.4415900 +1    0.0000000 +0     1     2     0
  O     2.47150007 +1   97.8218679 +1   83.4496705 +1     1     2     3
  O     2.47150015 +1   82.4049630 +1  -90.3761553 +1     1     2     3
  O     2.47150035 +1   84.1941878 +1  175.0475981 +1     1     2     3
  O     2.47150053 +1  164.4397863 +1 -143.9182513 +1     1     2     3
  O     3.33698978 +1   77.8198753 +1 -137.8066407 +1     1     2     3
  O     3.29467219 +1   47.7627406 +1    0.2870417 +1     1     2     3
  O     3.34725404 +1  141.3908006 +1  103.6427583 +1     1     2     3
  O     2.23467377 +1  179.9985642 +1  -90.9493468 +1     5     1     2
  C     1.39943999 +1  119.7553628 +1   89.6557401 +1     8     1     2
  C     1.22498829 +1   26.2688107 +1   11.5459843 +1    11     5     1
  H     1.09463961 +1  111.9972654 +1  119.4169444 +1    12     8     1
  H     1.09472267 +1  111.5517507 +1 -116.2473615 +1    12     8     1
  C     1.39922904 +1  119.7367678 +1  -92.5684604 +1     8     1     2
  C     1.40079456 +1  120.1134758 +1  179.5200879 +1     9     1     2
  C     1.40062658 +1  120.0590373 +1   -1.5304425 +1     9     1     2
  C     1.40000849 +1  119.8063836 +1  158.1765234 +1    10     1     2
  C     1.40017751 +1  119.5917669 +1  -29.4290303 +1    10     1     2
  C     1.25991191 +1  153.0737053 +1   -2.2626384 +1     3     1     2
  C     1.25881637 +1  155.3735194 +1 -131.5723089 +1     7     1     2
  C     1.25879282 +1  154.3577755 +1   74.8474067 +1     6     1     2
  C     1.25950181 +1  155.0119558 +1  159.5924975 +1     4     1     2
  C     1.25813773 +1  153.0041437 +1   -2.0038953 +1     2     1     3
  H     1.09434757 +1  111.8005326 +1  118.1246488 +1    16     8     1
  H     1.09487789 +1  111.7346586 +1 -117.5292117 +1    16     8     1
  H     1.09451605 +1  111.8977662 +1  120.6413702 +1    17     9     1
  H     1.09537076 +1  111.2907816 +1 -115.4322037 +1    17     9     1
  H     1.09406282 +1  111.8600302 +1  121.1108390 +1    18     9     1
  H     1.09504277 +1  111.3328102 +1 -114.8817522 +1    18     9     1
  H     1.09415062 +1  112.3836443 +1  121.8590114 +1    19    10     1
  H     1.09433988 +1  111.1640418 +1 -113.8882017 +1    19    10     1
  H     1.09479745 +1  111.5421788 +1  120.8509780 +1    20    10     1
  H     1.09441329 +1  111.9591319 +1 -114.9936843 +1    20    10     1
  O     1.22421252 +1  128.7550942 +1 -172.4196072 +1    22     7     1
  O     1.22557610 +1  128.3709070 +1 -175.7217118 +1    23     6     1
  O     1.22429508 +1  128.3711103 +1 -175.7429754 +1    21     3     1
  O     1.22440755 +1  128.7692363 +1 -175.7169317 +1    25     2     1
  O     1.22434775 +1  128.4420275 +1 -174.2835215 +1    24     4     1