Accuracy

Er_(LEYJII) r   7024 Erbium complex, CCDC: LEYJII (Geo)

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    #  Species Formula
  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
  7030 Erbium complex, CCDC: XAMREI (Geo)C26H36NSi3Er
  7031 Erbium complex, CCDC: EHEKUX (Geo)C20H49O2Si3Er
  7032 Erbium complex, CCDC: WEFVIM (Geo)C81H63N6O2P2Er
  7033 Erbium complex, CCDC: VOSNOG (Geo)C40H36N3O14P2Er
  7034 Erbium complex, CCDC: DOGKEP (Geo)C36H76N7O20P2Er


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: LEYJII
 <Er-O2> <Er-O2> <> <Er-O4> <> <> <Er-O5> <> <> <> <> <> <Er-O7> <> <> <Er-O8> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34129998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34130001 +1  182.4022224 +1    0.0000000 +0     1     2     0
  O     2.38400000 +1   67.4914869 +1  -43.0779711 +1     1     2     3
  O     2.38700003 +1   87.7131563 +1  103.8576616 +1     1     2     3
  O     2.14621914 +1  122.1729686 +1 -115.4162208 +1     5     1     2
  O     2.38730004 +1  105.5126148 +1   38.2236409 +1     1     2     3
  O     2.40900000 +1   98.7962873 +1 -148.3387548 +1     1     2     3
  O     2.14519694 +1  166.4488686 +1  171.5751232 +1     8     1     2
  O     2.15700480 +1  179.3984488 +1 -116.9391956 +1     4     1     2
  N     1.24480977 +1   33.2329313 +1  177.9012057 +1     6     5     1
  N     1.19814080 +1   31.5817911 +1  120.1815868 +1    10     4     1
  N     1.21445030 +1   33.2656351 +1  174.2020355 +1     9     8     1
  O     1.19920000 +1  125.4124376 +1 -178.9047333 +1    11     6     5
  O     1.25062551 +1  125.5242171 +1 -179.2703016 +1    12    10     4
  O     1.21133432 +1  127.0465578 +1 -179.8913212 +1    13     9     8
  O     3.31232134 +1   95.2654890 +1  -76.2127896 +1     3     1     2
  O     2.68613496 +1  128.1730189 +1  146.0230015 +1     3     1     2
  O     2.68074280 +1  127.5318445 +1 -141.7352982 +1     7     1     2
  H     0.98441289 +1  130.1323187 +1 -137.4227145 +1     7     1     2
  H     0.99015466 +1  129.7113716 +1   67.8064487 +1     3     1     2
  H     1.02815442 +1  127.2547041 +1 -126.4078108 +1     3     1     2
  H     1.07173800 +1  115.0569519 +1   41.9768328 +1     2     1     3
  H     0.95952991 +1  138.8699378 +1 -140.0018131 +1     2     1     3
  H     1.02017983 +1  114.5049933 +1   81.7233831 +1     7     1     2
  C     2.46353418 +1  145.9278162 +1   23.0332692 +1    22     3     1
  C     1.42119666 +1   98.2050960 +1 -134.3003209 +1    17     3     1
  C     1.42362478 +1  122.6808334 +1  102.2857858 +1    17     3     1
  C     1.52981974 +1  105.1632475 +1  -52.9600484 +1    28    17     3
  C     2.34792906 +1   88.7400526 +1   62.6467233 +1    19     7     1
  C     2.38693213 +1   58.1582235 +1 -126.0648607 +1    26    22     3
  H     1.10876016 +1   78.5070526 +1  -23.7859886 +1    26    22     3
  H     1.10366632 +1  145.8901848 +1 -130.4266981 +1    26    22     3
  H     1.10450795 +1  109.1348163 +1  164.7168653 +1    27    17     3
  H     1.10713526 +1  109.9720866 +1  -74.8471535 +1    27    17     3
  H     1.10364456 +1  108.5287164 +1 -172.9667478 +1    28    17     3
  H     1.10703889 +1  110.2995104 +1   66.4695708 +1    28    17     3
  H     1.10688446 +1  111.7533879 +1  -18.8509527 +1    29    28    17
  H     1.10360899 +1  112.2105307 +1 -141.5415852 +1    29    28    17
  H     1.10483640 +1  140.8949940 +1  109.6217492 +1    30    19     7
  H     1.10547383 +1   80.1385813 +1    1.5079881 +1    30    19     7
  H     1.10373297 +1   87.4442258 +1 -179.8335729 +1    31    26    22
  H     1.10911821 +1   95.0156439 +1   71.3286429 +1    31    26    22
  C     1.42244438 +1  123.5308503 +1   81.3654411 +1    19     7     1
  C     1.42296958 +1  112.4628502 +1  108.6004711 +1    18     3     1
  O     1.99063208 +1  175.9976748 +1  -23.8056949 +1    21     3     1
  H     1.10383446 +1  107.4637565 +1   89.3432823 +1    44    19     7
  H     1.10664803 +1  110.4779634 +1 -150.1536328 +1    44    19     7
  O     1.42292287 +1  103.8802540 +1  101.7730289 +1    29    28    17
  H     1.10467181 +1  108.6504064 +1 -149.3332774 +1    45    18     3
  H     1.10581331 +1  110.5410268 +1   89.8420148 +1    45    18     3
  C     1.41947382 +1  121.6673772 +1 -106.0940308 +1    19     7     1
  C     1.42054868 +1  117.9214628 +1 -117.2841571 +1    18     3     1
  C     1.42181692 +1  116.3363054 +1  -15.7447524 +1    46    21     3
  H     1.10920571 +1  108.1351401 +1  117.3966591 +1    52    19     7
  H     1.10387283 +1  109.7327978 +1 -122.2211897 +1    52    19     7
  C     1.53022040 +1  104.5306828 +1   37.5803260 +1    53    18     3
  H     1.10666200 +1  110.3309528 +1  -81.8613982 +1    53    18     3
  H     1.10455030 +1  109.0975557 +1  157.1331601 +1    53    18     3
  O     1.43097415 +1   33.4918037 +1  -46.2493328 +1    31    26    22
  H     1.10563983 +1  109.5121204 +1  165.5829361 +1    54    46    21
  H     1.10677680 +1  109.9482321 +1   45.9999569 +1    54    46    21
  H     1.10324365 +1  111.5057742 +1  157.9014019 +1    57    53    18
  H     1.10738170 +1  112.2380080 +1   34.7173866 +1    57    53    18