Accuracy

Er_(GINRIE) r   7015 Erbium complex, CCDC: GINRIE (Geo)

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    #  Species Formula
  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
  7025 Erbium complex, CCDC: SOKBID (Geo)C24H38N3O20Er


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: GINRIE
 <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     2.31050005 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34260004 +1  101.9299819 +1    0.0000000 +0     1     2     0
  O     2.35119994 +1   78.2866165 +1  176.7071030 +1     1     2     3
  O     2.37590001 +1  153.7745572 +1  163.3807200 +1     1     2     3
  O     2.48020000 +1   95.6315839 +1  -83.4110659 +1     1     2     3
  O     2.48780003 +1   92.4939400 +1   90.8600614 +1     1     2     3
  O     3.75413690 +1  112.8562112 +1  138.3189485 +1     1     2     3
  O     4.18173742 +1   76.6860826 +1  143.4958116 +1     1     2     3
  O     3.68620048 +1   45.6534425 +1  116.0066061 +1     1     2     3
  C     1.47627734 +1  119.8097464 +1  164.4787761 +1     7     1     2
  C     1.52350160 +1  111.7881867 +1  -95.2553707 +1    11     7     1
  C     1.41975661 +1  132.5835385 +1   56.3187215 +1     8     1     2
  C     1.43530134 +1  128.5244644 +1  161.7141014 +1     9     1     2
  C     1.43914714 +1  112.2180059 +1    4.3150853 +1     9     1     2
  C     1.43343640 +1  142.4100908 +1  131.1484045 +1    10     1     2
  C     1.41102635 +1   85.6066488 +1  -99.5827284 +1    10     1     2
  C     1.48459978 +1  133.8356485 +1  -10.0594688 +1     7     1     2
  H     1.10279545 +1  103.7748097 +1   27.2516107 +1    11     7     1
  H     1.11461937 +1  108.3038180 +1  141.5033044 +1    11     7     1
  H     1.10792534 +1  112.9217275 +1  -53.1550296 +1    12    11     7
  H     1.11771925 +1  111.0332893 +1 -176.1189580 +1    12    11     7
  H     1.11019737 +1  101.5388541 +1   54.1490767 +1    13     8     1
  H     1.11441423 +1  110.1563709 +1  169.4012478 +1    13     8     1
  H     1.11114059 +1  106.0762528 +1  131.7648176 +1    14     9     1
  H     1.11044124 +1  111.1821733 +1 -109.6566224 +1    14     9     1
  H     1.10532089 +1  106.8085694 +1   55.1217920 +1    15     9     1
  H     1.11348153 +1  111.6973002 +1  174.4975685 +1    15     9     1
  H     1.10588789 +1  110.4877316 +1   94.3373759 +1    16    10     1
  H     1.11513785 +1  106.5500881 +1 -146.2200790 +1    16    10     1
  H     1.10640103 +1  104.0406919 +1   61.5519719 +1    17    10     1
  H     1.12174266 +1  110.9987305 +1  175.5233793 +1    17    10     1
  H     1.10979758 +1  107.0175630 +1  134.7245254 +1    18     7     1
  H     1.11158331 +1  104.4305394 +1 -108.0244830 +1    18     7     1
  H     1.00037746 +1  129.8544948 +1 -171.9604845 +1     6     1     2
  H     1.03333469 +1  116.7248060 +1 -128.6144510 +1     2     1     3
  H     1.11563086 +1  119.9053711 +1  -86.8952925 +1     4     1     2
  H     1.03501975 +1  113.3752996 +1  -28.7194352 +1     5     1     2
  H     1.00793521 +1  130.3858431 +1   95.5997393 +1     3     1     2
  H     1.00046526 +1  130.3246397 +1   -0.1747347 +1     6     1     2
  H     1.00987970 +1  130.7232409 +1  -84.6817179 +1     3     1     2
  H     0.97191704 +1  138.3282131 +1   95.0879096 +1     4     1     2
  H     0.99847909 +1  141.8889848 +1   57.0258038 +1     2     1     3
  H     0.99139795 +1  143.9149622 +1  143.7635942 +1     5     1     2