Accuracy

Dy_(BUVXIZ01) r   6950 Dysprosium complex, CCDC: BUVXIZ01 (Geo)

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    #  Species Formula
  6940 Terbium complex, CCDC: JAXWOU01 (Geo)C56H46O18Tb2
  6941 Terbium complex, CCDC: COSVOV (Geo)C64H56N6O26Tb2
  6942 Terbium complex, CCDC: XOCDIC (Geo)C12H12O18F18Tb2
  6943 Terbium complex, CCDC: BACBUC (Geo)C42H34O20Cl12Tb2
  6944 Dysprosium complex, CCDC: XEQMAH (Geo)C27H27N4O3Dy
  6945 Dysprosium complex, CCDC: TUQTUU01 (Geo)C48H66N8O5Dy
  6946 Dysprosium complex, CCDC: CECLIF10 (Geo)C6H24N6O6Dy
  6947 Dysprosium complex, CCDC: XAWVIA (Geo)C15H15N5O8Dy
  6948 Dysprosium complex, CCDC: BAFZUE (Geo)C20H18N5O8Dy
  6949 Dysprosium complex, CCDC: MANHOY (Geo)C29H23N6O8Dy
  6950 Dysprosium complex, CCDC: BUVXIZ01 (Geo) H18O9Dy
  6951 Dysprosium complex, CCDC: ZZZARG01 (Geo)H18O9Dy
  6952 Dysprosium complex, CCDC: FUXRAR (Geo)C6H24O9Dy
  6953 Dysprosium complex, CCDC: GINPUO (Geo)C8H26O9Dy
  6954 Dysprosium complex, CCDC: KITGEZ (Geo)C8H26O9Dy
  6955 Dysprosium complex, CCDC: HANCAA (Geo)C10H28O9Dy
  6956 Dysprosium complex, CCDC: BIHLIN (Geo)C23H37N3O9Dy
  6957 Dysprosium complex, CCDC: VOSBOU (Geo)C16H28N5O9Dy
  6958 Dysprosium complex, CCDC: YAVSOD (Geo)C20H20N6O10Dy
  6959 Dysprosium complex, CCDC: SETADY (Geo)C10H18N2O11Dy
  6960 Dysprosium complex, CCDC: DIBTIR (Geo)H6N3O12Dy


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
Dysprosium complex, CCDC: BUVXIZ01
 <Dy-O2> <Dy-O2> <> <Dy-O4> <> <> <Dy-O5> <> <> <Dy-O*> <> <> <Dy-O6> GR=CCDC
 Dy     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.36379997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36380005 +1   82.4981120 +1    0.0000000 +0     1     2     0
  O     2.36419999 +1   97.8352388 +1   93.3517493 +1     1     2     3
  O     2.36437850 +1   88.0640584 +1  163.5043628 +1     1     2     3
  O     2.36479997 +1  161.5793962 +1  -83.3645295 +1     1     2     3
  O     2.36489998 +1   81.7885290 +1 -101.4814465 +1     1     2     3
  O     4.22360616 +1   93.9613520 +1  128.6599881 +1     1     2     3
  O     4.39349177 +1  157.5528281 +1 -164.0548920 +1     1     2     3
  O     4.38521450 +1   83.9073394 +1  -26.5575990 +1     1     2     3
  H     0.98336761 +1  128.8947056 +1   -8.1854010 +1     8     1     2
  H     1.03449715 +1  124.2336222 +1  -99.9538065 +1     5     1     2
  H     0.99493322 +1  135.3439762 +1   83.8349770 +1     5     1     2
  H     0.98204980 +1  126.6623109 +1  172.3110710 +1     8     1     2
  H     0.98315285 +1  125.1699455 +1   58.7837671 +1     9     1     2
  H     0.98324837 +1  124.6850698 +1 -150.9662605 +1     9     1     2
  H     0.98486999 +1  127.1659474 +1   15.7971406 +1    10     1     2
  H     0.98422975 +1  122.7148039 +1  165.6142542 +1    10     1     2
  H     1.00332343 +1  128.1856048 +1 -179.1913619 +1     7     1     2
  H     1.00325535 +1  131.7815648 +1    4.2279079 +1     7     1     2
  H     1.00381925 +1  128.1331071 +1    5.2654902 +1     2     1     3
  H     1.00375269 +1  131.8570360 +1 -169.3153560 +1     2     1     3
  H     1.03389132 +1  124.1819752 +1   85.4248691 +1     4     1     2
  H     0.99454131 +1  135.4080108 +1  -95.7151972 +1     4     1     2
  H     1.13540568 +1  130.5916149 +1 -121.2572090 +1     6     1     2
  H     0.97504247 +1  130.7297955 +1   65.5228019 +1     6     1     2
  H     1.14459142 +1  130.6213053 +1  -91.6643066 +1     3     1     2
  H     0.97540207 +1  131.4946165 +1   91.8430681 +1     3     1     2