Accuracy

Er_(XEWVOK) r   7011 Erbium complex, CCDC: XEWVOK (Geo)

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    #  Species Formula
  7001 Erbium complex, CCDC: XOXXAJ (Geo)C23H37N2Er
  7002 Erbium complex, CCDC: DIJQIW (Geo)C33H47N8Er
  7003 Erbium complex, CCDC: DIJQAO (Geo)C44H77N8Er
  7004 Erbium complex, CCDC: YEDSIJ10 (Geo)C19H23OEr
  7005 Erbium complex, CCDC: YEGFEV (Geo)C41H73N6O2Er
  7006 Erbium complex, CCDC: ZADWUW (Geo)C30H39O3Er
  7007 Erbium complex, CCDC: VEQFOM (Geo)C27H27N4O3Er
  7008 Erbium complex, CCDC: TUMJEQ (Geo)C53H53N6O4Er
  7009 Erbium complex, CCDC: UFIRIK (Geo)C48H66N8O5Er
  7010 Erbium complex, CCDC: TMHDER (Geo)C33H57O6Er
  7011 Erbium complex, CCDC: XEWVOK (Geo) C10H20N2O6Er
  7012 Erbium complex, CCDC: XEWWUR (Geo)C10H20N2O6Er
  7013 Erbium complex, CCDC: BAGBER (Geo)C20H18N5O8Er
  7014 Erbium complex, CCDC: AERETS02 (Geo)H18O9Er
  7015 Erbium complex, CCDC: GINRIE (Geo)C8H26O9Er
  7016 Erbium complex, CCDC: KITGUP (Geo)C8H26O9Er
  7017 Erbium complex, CCDC: HANCOO (Geo)C10H28O9Er
  7018 Erbium complex, CCDC: HENAEB (Geo)C10H19N2O9Er
  7019 Erbium complex, CCDC: KOZBUW (Geo)C21H24N3O9Er
  7020 Erbium complex, CCDC: SEGVAB (Geo)C6H6O12Er
  7021 Erbium complex, CCDC: VUSGUL (Geo)C12H24N3O12Er


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=3.0
Erbium complex, CCDC: XEWVOK
 <Er-O2> <Er-O3> <> <Er-O4> <> <> <Er-O5> <> <> <Er-O6> <> <> <Er-O7> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31130007 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.31460005 +1   72.1754179 +1    0.0000000 +0     1     2     0
  O     2.32260006 +1  175.7058292 +1  -75.6165579 +1     1     2     3
  O     2.32970003 +1   80.9394719 +1  166.3437527 +1     1     2     3
  O     2.36920000 +1   98.3020949 +1   61.8682779 +1     1     2     3
  O     2.39500005 +1   85.9974649 +1 -100.5468005 +1     1     2     3
  N     4.36574407 +1  155.7080998 +1   90.6577768 +1     1     2     3
  N     4.43910321 +1  123.0711075 +1   47.8598612 +1     1     2     3
  C     1.36668698 +1  119.9190998 +1  -47.0345378 +1     8     1     2
  C     1.39788546 +1  120.3278415 +1  144.4670644 +1    10     8     1
  C     1.39930641 +1  119.9634278 +1    2.2229287 +1    11    10     8
  C     1.39143747 +1  118.9708618 +1    0.2117911 +1    12    11    10
  C     1.35939751 +1  112.6067773 +1  102.6922842 +1     8     1     2
  C     1.36675158 +1  117.0636004 +1  168.2100613 +1     9     1     2
  C     1.39870685 +1  120.3470155 +1  143.9986457 +1    15     9     1
  C     1.39830782 +1  120.0645451 +1    2.3212544 +1    16    15     9
  C     1.39237539 +1  118.8926069 +1    0.6906475 +1    17    16    15
  C     1.36087263 +1  115.2952741 +1  -42.7440643 +1     9     1     2
  H     1.52938030 +1  124.1564570 +1 -164.3317023 +1     6     1     2
  H     0.93199847 +1  136.2588419 +1   40.2481014 +1     6     1     2
  H     1.50659966 +1  123.8342163 +1  157.7260066 +1     4     1     2
  H     0.93280169 +1  138.6918282 +1   -3.7814333 +1     4     1     2
  H     1.00213617 +1  132.0752438 +1   59.1879946 +1     5     1     2
  H     1.00282597 +1  128.1577065 +1 -121.4352302 +1     5     1     2
  H     0.99827668 +1  132.2692248 +1   15.0460386 +1     7     1     2
  H     1.00083009 +1  127.0205207 +1 -170.3648047 +1     7     1     2
  H     1.00013620 +1  134.4823379 +1 -178.0635104 +1     2     1     3
  H     1.00349625 +1  124.6504901 +1   -7.4218086 +1     2     1     3
  H     0.98937421 +1  143.1039557 +1  -88.0414978 +1     3     1     2
  H     1.00746905 +1  111.6798725 +1  106.8290629 +1     3     1     2
  H     1.10240673 +1  120.2832357 +1 -178.1250132 +1    11    10     8
  H     1.10741037 +1  120.2133481 +1  179.3563780 +1    12    11    10
  H     1.10487185 +1  120.9687137 +1  177.9902148 +1    13    12    11
  H     1.10478616 +1  116.6185932 +1   32.5289181 +1    14     8     1
  H     1.10285564 +1  120.1515018 +1 -177.8703326 +1    16    15     9
  H     1.10741269 +1  120.2682875 +1  179.7266913 +1    17    16    15
  H     1.10517997 +1  120.9390877 +1  177.5359564 +1    18    17    16
  H     1.10250191 +1  116.6615279 +1   34.8268674 +1    19     9     1