Accuracy

Er_(AERETS02) r   7014 Erbium complex, CCDC: AERETS02 (Geo)

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    #  Species Formula
  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
  7022 Erbium complex, CCDC: YICCIW (Geo)C10H36O13Er
  7023 Erbium complex, CCDC: BOWXOA (Geo)N5O15Er
  7024 Erbium complex, CCDC: LEYJII (Geo)C12H30N3O18Er


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: AERETS02
 <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     2.35100005 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35109998 +1   82.3384882 +1    0.0000000 +0     1     2     0
  O     2.35149997 +1   86.8679707 +1 -161.6282003 +1     1     2     3
  O     2.35159996 +1  100.2091848 +1  -91.8712579 +1     1     2     3
  O     2.35200001 +1   92.4509109 +1  103.2765861 +1     1     2     3
  O     2.35210000 +1  162.7435700 +1   89.4809266 +1     1     2     3
  O     4.21518811 +1   93.6854068 +1 -126.9145944 +1     1     2     3
  O     4.36079322 +1   92.8914384 +1   24.7013889 +1     1     2     3
  O     4.21403509 +1  127.7860832 +1  100.9372752 +1     1     2     3
  H     0.99617713 +1  135.4799329 +1   98.1424487 +1     5     1     2
  H     1.03661464 +1  124.3438104 +1  -81.9301900 +1     5     1     2
  H     0.98313060 +1  127.4243908 +1   94.7202506 +1    10     1     2
  H     0.98271404 +1  128.2020935 +1  -84.6353231 +1    10     1     2
  H     0.97528035 +1  132.1007514 +1  -71.0721335 +1     3     1     2
  H     1.14888904 +1  129.9475272 +1  112.2411077 +1     3     1     2
  H     0.99556988 +1  135.0148359 +1 -164.5898889 +1     7     1     2
  H     1.03354585 +1  124.5495177 +1   15.6314923 +1     7     1     2
  H     0.99555927 +1  135.1422627 +1  -85.1805846 +1     4     1     2
  H     1.03637827 +1  124.4148474 +1   99.9634810 +1     4     1     2
  H     1.00501638 +1  131.5006667 +1  165.8182276 +1     2     1     3
  H     1.00544221 +1  128.8091832 +1  -12.0156921 +1     2     1     3
  H     0.99557640 +1  135.5099981 +1    0.0538801 +1     6     1     2
  H     1.03614665 +1  124.1116101 +1 -177.1925798 +1     6     1     2
  H     0.98318292 +1  128.1141887 +1 -168.3077020 +1     8     1     2
  H     0.98338448 +1  127.5592819 +1   12.4173564 +1     8     1     2
  H     0.98474236 +1  123.0636986 +1 -144.2766245 +1     9     1     2
  H     0.98580879 +1  126.4359386 +1    4.8097171 +1     9     1     2