Accuracy

Ce_(CUMCIW) r   6551 Cerium complex, CCDC: CUMCIW (Geo)

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    #  Species Formula
  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
  6549 Cerium complex, CCDC: SOZLUO (Geo)C60H126O6Ce2
  6550 Cerium complex, CCDC: XEXCUY (Geo)C56H48N6O14Ce2
  6551 Cerium complex, CCDC: CUMCIW (Geo) C16H28O18Ce2
  6552 Cerium complex, CCDC: BABZIN (Geo)C42H34O20Cl12Ce2
  6553 Praseodymium complex, CCDC: GIWWEO (Geo)C18H27N9Pr
  6554 Praseodymium complex, CCDC: NPYPRP10 (Geo)C48H36N12Pr
  6555 Praseodymium complex, CCDC: KOBRUO (Geo)C64H32N16Pr
  6556 Praseodymium complex, CCDC: RUGNOW (Geo)C27H30B3N18Pr
  6557 Praseodymium complex, CCDC: MIPTEK (Geo)C27H27N4O3Pr
  6558 Praseodymium complex, CCDC: POGWIR (Geo)C44H67O5Pr
  6559 Praseodymium complex, CCDC: YOTYUB (Geo)C45H82N9O5Pr
  6560 Praseodymium complex, CCDC: PELGOC (Geo)C27H29N2O6Pr
  6561 Praseodymium complex, CCDC: VELRUZ (Geo)C16H38N2O7Pr


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: CUMCIW
 <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     2.50440000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.51543700 +1   86.6759143 +1    0.0000000 +0     1     2     0
  O     2.53824000 +1   90.1126048 +1  109.1688175 +1     1     2     3
  O     2.53864200 +1  179.9976683 +1   15.2068127 +1     1     2     4
  O     2.55240000 +1   72.4808197 +1   52.1147783 +1     1     2     5
  O     2.57205100 +1   81.7167160 +1   83.5937768 +1     1     2     6
  O     2.20416151 +1  116.9137984 +1   73.7085296 +1     4     1     2
  O     2.21336813 +1  137.8194871 +1  120.5375279 +1     5     1     2
 Ce     3.77867892 +1  113.7525849 +1  130.1000722 +1     2     1     3
  O     2.21808437 +1  159.3031631 +1  169.0948613 +1     3     1     2
  O     2.18480348 +1  126.6253299 +1  -23.2267730 +1     7     1     2
  O     2.41799466 +1   69.4490220 +1   69.5006803 +1    10     2     1
  O     3.51888982 +1   75.7926189 +1  172.3504987 +1    10     2    13
  O     2.19357123 +1  171.2359126 +1   62.7560825 +1     2     1    10
  O     2.87467152 +1  153.6827052 +1   58.9421792 +1    10     2    14
  O     2.18975443 +1  108.7194177 +1  124.8747461 +1    13    10     2
  O     2.18543156 +1   90.0132949 +1  122.4223651 +1    16    10     2
  O     2.21037991 +1  106.6971003 +1 -104.8473123 +1    10     2    16
  O     2.21435729 +1  130.6494201 +1 -125.6809154 +1    19    10     2
  C     1.21851133 +1   27.8347478 +1  174.6942003 +1    11     3     1
  C     1.52773793 +1  120.1473653 +1 -179.9870420 +1    21    11     3
  C     1.23819590 +1   28.8669578 +1  179.5197269 +1     8     4     1
  C     1.51056872 +1  120.2240260 +1  179.2089858 +1    23     8     4
  C     1.27454447 +1  164.6492184 +1    2.6227361 +1     5     1     9
  C     1.52361808 +1  114.4233406 +1  176.1480686 +1    25     5     1
  C     1.23934751 +1  156.7479544 +1    2.7927566 +1     7     1    12
  C     1.49028925 +1  121.6174494 +1  175.8424812 +1    27     7     1
  C     1.22590257 +1   29.4055367 +1  100.9335896 +1    15     2     1
  C     1.51098260 +1  121.2129306 +1 -179.6681048 +1    29    15     2
  C     1.21729166 +1   31.1534447 +1  177.9040682 +1    17    13    10
  C     1.26209012 +1  118.6113429 +1    1.5120224 +1    16    10    18
  C     1.20944200 +1   29.3583516 +1 -174.9551904 +1    20    19    10
  C     1.49682484 +1  123.3788000 +1  179.2932584 +1    31    17    13
  C     1.51735782 +1  117.4769428 +1  176.6087098 +1    32    16    10
  C     1.51362273 +1  122.4351454 +1 -179.9044739 +1    33    20    19
  H     1.00824717 +1  113.7422424 +1 -101.6419009 +1     6     1     2
  H     0.99528497 +1  128.0984923 +1  135.8118403 +1     6     1    37
  H     1.09147129 +1  109.8246529 +1   60.9268191 +1    22    21    11
  H     1.09052502 +1  110.1444064 +1 -119.1745502 +1    22    21    39
  H     1.09558888 +1  110.8906976 +1 -120.7232077 +1    22    21    40
  H     0.95810958 +1   78.1190999 +1 -124.3497773 +1    14    10     2
  H     1.09414746 +1  110.3200794 +1   61.2274849 +1    24    23     8
  H     1.09416581 +1  110.3725579 +1 -118.8157820 +1    24    23    43
  H     1.09604451 +1  110.9686453 +1 -120.9068234 +1    24    23    44
  H     1.09209814 +1  109.8697173 +1 -120.4163983 +1    26    25     5
  H     1.09113138 +1  109.9712236 +1 -119.1799206 +1    26    25    46
  H     1.09481282 +1  110.7954575 +1 -120.6782005 +1    26    25    47
  H     1.09913801 +1  110.9392189 +1 -126.9769558 +1    28    27     7
  H     1.10155014 +1  110.2751067 +1 -117.7699991 +1    28    27    49
  H     1.09833517 +1  111.8329384 +1 -120.4000147 +1    28    27    50
  H     0.94014668 +1  160.8694420 +1  120.0234292 +1    14    10    42
  H     1.09443522 +1  111.0064755 +1 -121.7462124 +1    30    29    15
  H     1.09799346 +1  110.1699196 +1 -119.8444246 +1    30    29    53
  H     1.09380174 +1  110.9193985 +1 -119.3452489 +1    30    29    54
  H     1.09442310 +1  111.2987742 +1   44.8152051 +1    34    31    17
  H     1.10092111 +1  110.6028324 +1 -121.3652043 +1    34    31    56
  H     1.10151218 +1  112.7641393 +1 -119.1348761 +1    34    31    57
  H     1.09261367 +1  109.9894887 +1   58.6479246 +1    35    32    16
  H     1.09377442 +1  109.6938471 +1 -118.3367872 +1    35    32    59
  H     1.09207288 +1  110.9845775 +1 -120.7054188 +1    35    32    60
  H     1.09610395 +1  110.1706634 +1 -117.2776973 +1    36    33    20
  H     1.09596090 +1  110.4673272 +1 -120.7462125 +1    36    33    62
  H     1.09399123 +1  110.6937093 +1 -119.8371280 +1    36    33    63