Accuracy

Ce_(PUTQAW) r   6538 Cerium complex, CCDC: PUTQAW (Geo)

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    #  Species Formula
  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
  6544 Cerium complex, CCDC: PIDBAF (Geo)C11H20N3O6S3Ce
  6545 Cerium complex, CCDC: GAPFIM (Geo)H6O13S4Ce
  6546 Cerium complex, CCDC: FUHFEZ (Geo)C48H40N3O13S4Ce
  6547 Cerium complex, CCDC: VACMUI (Geo)C50H74B4N20O2Ce2
  6548 Cerium complex, CCDC: KIPLEA (Geo)C54H114O6Ce2


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=-1
Cerium complex, CCDC: PUTQAW
 <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     2.44480034 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45560017 +1  102.8981798 +1    0.0000000 +0     1     2     0
  O     2.45569975 +1  156.8740024 +1  125.0690667 +1     1     2     3
  O     2.45720010 +1   99.4038911 +1  -94.6208802 +1     1     2     3
  O     2.45879984 +1   84.6039281 +1 -157.1066137 +1     1     2     3
  O     2.46600028 +1   84.7406567 +1   61.2841525 +1     1     2     3
  O     3.78088302 +1  106.2835649 +1  116.7176189 +1     1     2     3
  O     3.86259439 +1   49.6961888 +1  -75.2353055 +1     1     2     3
  F     3.26804830 +1  147.2846992 +1 -143.3743363 +1     4     1     2
  F     2.10916898 +1   51.0559796 +1  -72.2188532 +1    10     4     1
  F     2.10903613 +1   59.9907931 +1  -90.1530700 +1    11    10     4
  F     3.30270321 +1  159.4557430 +1  157.7615833 +1     3     1     2
  F     2.10912254 +1   70.7463874 +1 -168.0944929 +1    13     3     1
  F     2.11036201 +1   60.0221907 +1  -55.8292298 +1    14    13     3
  F     3.25577494 +1  152.1937447 +1  -64.9278101 +1     2     1     3
  F     2.10865246 +1   51.3793578 +1  -56.6901098 +1    16     2     1
  F     2.10771714 +1   72.5251696 +1 -121.8995937 +1    16     2     1
  F     2.58546697 +1  149.0474246 +1  -77.5679432 +1     6     1     2
  F     2.11088460 +1   88.5875362 +1  147.5789291 +1    19     6     1
  F     2.10943848 +1   60.0279317 +1   88.8096328 +1    20    19     6
  O     2.23275241 +1  167.4162240 +1  -10.5199470 +1     5     1     2
  O     2.23092536 +1  172.1176786 +1 -165.4592825 +1     7     1     2
  O     2.23306231 +1  148.7738141 +1 -158.4530187 +1     8     1     2
  O     2.23903227 +1  144.5483932 +1  -35.2048709 +1     9     1     2
  C     1.32847460 +1   37.6257672 +1  -48.6516963 +1    11    10     4
  C     1.24860948 +1  166.3363043 +1  -36.3450192 +1     4     1     2
  C     1.36041666 +1  129.5728453 +1   23.3375165 +1    27     4     1
  H     1.08596221 +1  121.4333830 +1 -178.4007157 +1    28    27     4
  C     1.21432996 +1  117.7874619 +1 -172.2121428 +1     8     1     2
  C     1.42840784 +1   87.4504584 +1  157.7230298 +1    24     8     1
  H     1.10407826 +1  108.3847215 +1   64.5278475 +1    31    24     8
  H     1.10444405 +1  109.1400962 +1  -54.2532581 +1    31    24     8
  C     1.52393280 +1  104.3631767 +1 -174.8421716 +1    31    24     8
  H     1.09307297 +1  111.2777378 +1 -179.9121333 +1    34    31    24
  H     1.09720300 +1  110.9139752 +1   59.2384578 +1    34    31    24
  H     1.09726390 +1  110.8850088 +1  -59.2280682 +1    34    31    24
  C     1.33265117 +1   37.6727660 +1  -14.7317728 +1    14    13     3
  C     1.24813973 +1  143.3690943 +1   82.5438591 +1     3     1     2
  C     1.37457735 +1  126.4663966 +1   -2.7676822 +1    39     3     1
  H     1.08000428 +1  122.9294988 +1  179.0267547 +1    40    39     3
  C     1.24702023 +1  143.8373162 +1 -116.9353669 +1     7     1     2
  C     1.44726954 +1   86.4979308 +1 -121.2673115 +1    23     7     1
  H     1.11058095 +1  109.7730979 +1   41.8485235 +1    43    23     7
  H     1.10319999 +1  106.8735987 +1  -76.7135152 +1    43    23     7
  C     1.51840185 +1  103.8634826 +1  162.8580942 +1    43    23     7
  H     1.09547948 +1  110.8688869 +1  176.3279011 +1    46    43    23
  H     1.09727117 +1  111.3832714 +1   55.7579051 +1    46    43    23
  H     1.09844418 +1  111.0520566 +1  -63.5580029 +1    46    43    23
  C     1.33248855 +1   36.4263555 +1 -107.8789723 +1    16     2     1
  C     1.25017823 +1  168.2983953 +1  103.4856157 +1     2     1     3
  C     1.35875752 +1  129.6571329 +1  -23.0531317 +1    51     2     1
  H     1.08586956 +1  121.5792843 +1  177.2032098 +1    52    51     2
  C     1.21211110 +1  115.5040029 +1  -16.6631376 +1     9     1     2
  C     1.42174736 +1   89.2133767 +1 -143.1542718 +1    25     9     1
  H     1.10456900 +1  109.8723876 +1  -44.5170910 +1    55    25     9
  H     1.10528400 +1  101.7275783 +1 -161.1343648 +1    55    25     9
  C     1.52249643 +1  110.0199898 +1   79.3843731 +1    55    25     9
  H     1.09202841 +1  111.9573636 +1  167.9991872 +1    58    55    25
  H     1.09696916 +1  111.0958961 +1   46.4414284 +1    58    55    25
  H     1.10223144 +1  110.7364932 +1  -71.8011819 +1    58    55    25
  C     1.32669552 +1   64.4250253 +1  177.4223261 +1    19     6     1
  C     1.24737600 +1  142.7869095 +1   97.8344758 +1     6     1     2
  C     1.37514426 +1  126.4234401 +1    1.4296309 +1    63     6     1
  H     1.07996786 +1  122.8514002 +1 -178.4625611 +1    64    63     6
  C     1.24873879 +1  142.6067216 +1  -64.2810519 +1     5     1     2
  C     1.44777508 +1   86.3119075 +1  102.7278153 +1    22     5     1
  H     1.10340665 +1  108.2393363 +1   60.0494602 +1    67    22     5
  H     1.10959506 +1  108.0753793 +1  -58.7491279 +1    67    22     5
  C     1.51867110 +1  103.6268808 +1 -179.0454413 +1    67    22     5
  H     1.09563513 +1  110.7527034 +1  179.9108237 +1    70    67    22
  H     1.09817401 +1  111.0067425 +1   59.8760722 +1    70    67    22
  H     1.09679423 +1  111.3935041 +1  -59.5143098 +1    70    67    22