Accuracy

Er_(XEWWUR) r   7012 Erbium complex, CCDC: XEWWUR (Geo)

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    #  Species Formula
  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
  7022 Erbium complex, CCDC: YICCIW (Geo)C10H36O13Er


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: XEWWUR
 <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     2.27949994 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.31090002 +1   86.0580130 +1    0.0000000 +0     1     2     0
  O     2.33170001 +1  168.5119949 +1 -162.3637292 +1     1     2     3
  O     2.35410002 +1   97.3295958 +1   75.9549824 +1     1     2     3
  O     2.36980002 +1   77.9976921 +1  160.5258569 +1     1     2     3
  O     2.37450000 +1   90.4192204 +1  -94.0170710 +1     1     2     3
  N     4.33836810 +1  149.3726079 +1  -85.5046777 +1     1     2     3
  N     4.35173196 +1  112.7381909 +1 -114.1367032 +1     1     2     3
  C     1.36707868 +1  118.6639434 +1  -28.8769272 +1     8     1     2
  C     1.39748175 +1  120.3788168 +1  143.7923967 +1    10     8     1
  C     1.39893673 +1  119.9456715 +1    1.8383819 +1    11    10     8
  C     1.39189668 +1  118.9576033 +1    0.3916797 +1    12    11    10
  C     1.35966159 +1  113.2461831 +1  119.7531346 +1     8     1     2
  C     1.36670273 +1  117.9644590 +1  172.0740303 +1     9     1     2
  C     1.39741749 +1  120.4751587 +1  142.6395099 +1    15     9     1
  C     1.39915339 +1  119.9139338 +1    1.9793226 +1    16    15     9
  C     1.39153485 +1  118.9347215 +1    0.4438084 +1    17    16    15
  C     1.35894801 +1  113.4995424 +1  -40.2607996 +1     9     1     2
  H     1.10251025 +1  120.1689978 +1 -178.3940732 +1    11    10     8
  H     1.10718577 +1  120.2301566 +1  179.5696235 +1    12    11    10
  H     1.10471769 +1  120.9434844 +1  178.0283360 +1    13    12    11
  H     1.10414681 +1  116.6370614 +1   34.0496277 +1    14     8     1
  H     1.10227686 +1  120.2197311 +1 -178.3185642 +1    16    15     9
  H     1.10695095 +1  120.2502758 +1  179.5372715 +1    17    16    15
  H     1.10458891 +1  120.9376545 +1  177.8810990 +1    18    17    16
  H     1.10415305 +1  116.6046211 +1   35.2877227 +1    19     9     1
  H     1.48132197 +1  121.9590241 +1 -148.9175977 +1     7     1     2
  H     0.93125827 +1  139.8773151 +1   48.2088798 +1     7     1     2
  H     0.99855896 +1  134.0175689 +1   -9.4646970 +1     5     1     2
  H     1.00314384 +1  125.4438609 +1  168.3011360 +1     5     1     2
  H     1.00232676 +1  129.2798712 +1  -71.0625977 +1     3     1     2
  H     0.99932902 +1  129.9505469 +1  114.7334916 +1     3     1     2
  H     1.00876321 +1  126.6786873 +1   88.7694191 +1     2     1     3
  H     1.00370283 +1  133.4145503 +1  -90.7012542 +1     2     1     3
  H     1.52006560 +1  121.8488612 +1   87.7200577 +1     4     1     2
  H     0.93049708 +1  140.8014499 +1  -74.7116813 +1     4     1     2
  H     0.99893145 +1  128.4848136 +1 -162.5096330 +1     6     1     2
  H     0.99566156 +1  130.4672139 +1   24.2312773 +1     6     1     2