Accuracy

Er_(KOZBUW) r   7019 Erbium complex, CCDC: KOZBUW (Geo)

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    #  Species Formula
  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
  7026 Erbium complex, CCDC: TEPKOO (Geo)C48H54N7O20Er
  7027 Erbium complex, CCDC: RUNQOG (Geo)C48H34N11O25Er
  7028 Erbium complex, CCDC: XOYXIS (Geo)C24H32O7F9Er
  7029 Erbium complex, CCDC: MUGYAO (Geo)C27H54N3O2Si2Er


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: KOZBUW
 <Er-O2> <Er-O3> <> <Er-O3> <> <> <Er-O5> <> <> <Er-O6> <> <> <Er-O6> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.37420004 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.37429997 +1   73.4940782 +1    0.0000000 +0     1     2     0
  O     2.37429999 +1   83.4098670 +1  -75.3189595 +1     1     2     3
  O     2.41160000 +1   68.3437295 +1  158.6516144 +1     1     2     3
  O     2.41169995 +1  115.1744127 +1   59.7384104 +1     1     2     3
  O     2.41170003 +1  145.2336871 +1 -145.9859086 +1     1     2     3
  O     2.15230209 +1   84.4034912 +1   58.7880977 +1     5     1     2
  O     2.16208855 +1   86.0372578 +1   -9.8992404 +1     6     1     2
  O     2.13695774 +1   78.1134354 +1  124.1909685 +1     7     1     2
  N     5.13968380 +1  179.9972894 +1  104.2907488 +1     7     1     2
  C     1.28025877 +1  115.4784056 +1   63.1358346 +1     5     1     2
  C     1.47577800 +1  120.6273212 +1  176.5963488 +1    12     5     1
  C     1.38869492 +1  118.6282356 +1    5.0098738 +1    13    12     5
  C     1.40843394 +1  118.8329074 +1  177.9296777 +1    14    13    12
  C     1.40865037 +1  120.1506139 +1    2.7044125 +1    15    14    13
  C     1.38774724 +1  119.5284660 +1   -1.0457679 +1    16    15    14
  C     1.39567191 +1  120.8162813 +1   -0.9610765 +1    17    16    15
  C     1.28396228 +1  109.3999003 +1  129.0586602 +1     7     1     2
  C     1.27960261 +1  116.9279732 +1   -8.3155720 +1     6     1     2
  H     1.09286839 +1  119.5615135 +1   -1.0770405 +1    14    13    12
  H     1.08477651 +1  119.9971125 +1  179.0692479 +1    16    15    14
  H     1.08924991 +1  119.8379232 +1  179.2878658 +1    17    16    15
  H     1.09180669 +1  121.1939029 +1 -178.7769838 +1    18    17    16
  H     2.07431770 +1   94.3846887 +1 -179.7672065 +1    15    14    13
  H     1.67533229 +1   65.7992794 +1 -177.8245953 +1    25    15    14
  H     0.98608029 +1  122.1137178 +1  155.3193150 +1     2     1     3
  H     0.95001846 +1  124.1295708 +1   -0.1212892 +1     2     1     3
  H     0.98154250 +1  122.6492480 +1  155.8281032 +1     4     1     2
  H     0.95301448 +1  124.2144288 +1    0.0059894 +1     4     1     2
  H     0.99900826 +1  121.0169706 +1   76.2365687 +1     3     1     2
  H     0.94534198 +1  124.6306687 +1  -78.6266304 +1     3     1     2
  C     1.46757051 +1  124.1686884 +1  176.0347218 +1    19     7     1
  C     1.47688290 +1  120.4341780 +1  177.4732596 +1    20     6     1
  C     1.38420607 +1  118.9591841 +1    5.8801991 +1    33    19     7
  C     1.39642889 +1  119.1059382 +1 -174.2522187 +1    33    19     7
  C     1.38746145 +1  118.2753714 +1    5.0169396 +1    34    20     6
  C     1.39442004 +1  119.9250401 +1 -174.2918719 +1    34    20     6
  C     1.40564486 +1  118.3239478 +1  178.8642623 +1    35    33    19
  H     1.09340401 +1  119.6955830 +1   -1.0410248 +1    35    33    19
  C     1.39280078 +1  119.2376177 +1  179.6361498 +1    36    33    19
  H     1.09309230 +1  119.1649653 +1   -0.1911511 +1    36    33    19
  C     1.40729558 +1  118.8116691 +1  178.6078806 +1    37    34    20
  H     1.09368470 +1  119.6293087 +1   -0.8043878 +1    37    34    20
  C     1.39332937 +1  119.1003013 +1  179.3508632 +1    38    34    20
  H     1.09207592 +1  119.3223030 +1   -0.3459876 +1    38    34    20
  N     1.38626665 +1  119.8570609 +1 -174.9459954 +1    43    37    34
  C     1.41097031 +1  120.4585406 +1    2.0954163 +1    39    35    33
  H     1.08848460 +1  119.8675228 +1 -178.6774662 +1    41    36    33
  N     0.99757474 +1   35.3471483 +1  169.8101692 +1    25    15    14
  C     1.41170498 +1  119.8402995 +1    2.8209517 +1    43    37    34
  H     1.08874248 +1  119.7667583 +1 -178.6615999 +1    45    38    34
  H     1.00520605 +1   75.2543861 +1 -152.7587938 +1    11     7     1
  H     0.95998821 +1  166.3368501 +1   57.7903348 +1    11     7     1
  H     1.08392101 +1  120.4098627 +1  178.8826536 +1    48    39    35
  H     1.00613326 +1  120.2569286 +1  -12.6093684 +1    47    43    37
  H     0.96219997 +1  121.0940314 +1 -172.4949247 +1    47    43    37
  H     1.08435384 +1  120.3246011 +1  178.9231347 +1    51    43    37