Accuracy

Er_(BAGBER) r   7013 Erbium complex, CCDC: BAGBER (Geo)

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    #  Species Formula
  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
  7023 Erbium complex, CCDC: BOWXOA (Geo)N5O15Er


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
Erbium complex, CCDC: BAGBER
 <Er-O2> <Er-O3> <> <Er-O4> <> <> <Er-O5> <> <> <Er-N6> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.22589998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.25900000 +1   68.5648208 +1    0.0000000 +0     1     2     0
  O     2.40180003 +1  101.3684155 +1   95.4674204 +1     1     2     3
  O     2.43549996 +1  101.4706135 +1  -99.3171892 +1     1     2     3
  N     2.47680004 +1  149.5757170 +1 -175.6791778 +1     1     2     3
  O     2.14589351 +1  123.6773248 +1 -117.7098818 +1     5     1     2
  O     2.14758520 +1  136.4090199 +1  172.3147444 +1     4     1     2
  N     3.46183450 +1  148.2342959 +1   18.1682943 +1     1     2     3
  N     3.14539983 +1   88.0286808 +1 -173.6702952 +1     1     2     3
  N     1.22141563 +1   32.8967141 +1 -175.7633879 +1     8     4     1
  N     1.22921100 +1   32.9511913 +1  177.4740790 +1     7     5     1
  O     1.20743351 +1  125.5596206 +1  179.7608854 +1    12     7     5
  O     1.20974781 +1  125.9866914 +1 -179.5445287 +1    11     8     4
  C     1.34403821 +1  133.8930035 +1  -13.2697267 +1    10     1     2
  H     1.09849459 +1  115.6988680 +1    9.5963850 +1    15    10     1
  C     1.40040345 +1  122.3696069 +1 -170.1613466 +1    15    10     1
  H     1.08713101 +1  120.5662747 +1 -179.3877051 +1    17    15    10
  C     1.39167801 +1  118.2694320 +1    1.0965471 +1    17    15    10
  H     1.09168630 +1  120.4584684 +1  178.7369039 +1    19    17    15
  C     1.39483453 +1  119.5359228 +1   -1.2235973 +1    19    17    15
  H     1.08832432 +1  119.7384853 +1  178.8904258 +1    21    19    17
  C     1.35036772 +1  106.1014412 +1  174.6992494 +1    10     1     2
  C     1.38290378 +1  122.6402471 +1   24.7451061 +1     6     1     2
  C     1.40499744 +1  122.8463093 +1  144.8315452 +1    24     6     1
  H     1.09183704 +1  119.8523431 +1 -168.1240301 +1    25    24     6
  C     1.38682462 +1  120.0309637 +1    8.8509289 +1    25    24     6
  H     1.09146104 +1  121.1646207 +1 -177.0067525 +1    27    25    24
  C     1.39140803 +1  117.6714287 +1    4.3756129 +1    27    25    24
  H     1.08956650 +1  120.7050469 +1  173.7291556 +1    29    27    25
  C     1.37943385 +1  121.2837133 +1 -174.5310945 +1     6     1     2
  C     1.35068052 +1   87.4605797 +1  146.1551180 +1     9     1     2
  C     1.39787600 +1  123.0220324 +1 -131.0644538 +1    32     9     1
  H     1.08965096 +1  121.0849959 +1  176.0149404 +1    33    32     9
  C     1.39744338 +1  118.0218361 +1   -1.2192839 +1    33    32     9
  H     1.09145182 +1  119.9197876 +1  178.4737201 +1    35    33    32
  C     1.39165965 +1  119.4021399 +1   -0.5110937 +1    35    33    32
  H     1.08707645 +1  120.9383453 +1 -179.8096722 +1    37    35    33
  C     1.34334161 +1  128.1509816 +1   21.3197925 +1     9     1     2
  H     1.09674701 +1  115.6829270 +1  -68.8732891 +1    39     9     1
  C     2.34657907 +1  177.2749682 +1   46.9386385 +1     3     1     2
  H     1.10299720 +1   83.4664373 +1  147.4695788 +1    41     3     1
  H     1.10147689 +1  114.3655282 +1   41.7568681 +1    41     3     1
  H     1.09814651 +1  131.1479388 +1 -104.5122189 +1    41     3     1
  C     1.26838619 +1  143.4508378 +1    2.4625044 +1     3     1     2
  C     1.40315783 +1  120.8764558 +1   -2.6973749 +1    45     3     1
  H     1.08041127 +1  119.1627679 +1 -179.6127404 +1    46    45     3
  C     1.27261493 +1  144.3517473 +1   -1.2454801 +1     2     1     3
  C     1.48941449 +1  116.2840874 +1 -179.1219294 +1    48     2     1
  H     1.10212286 +1  111.6569174 +1   -9.2222318 +1    49    48     2
  H     1.09904706 +1  111.8577636 +1 -130.0038149 +1    49    48     2
  H     1.10106933 +1  110.9383413 +1  110.2542262 +1    49    48     2