Accuracy

Ho_(HOESUL02) r   6980 Holmium complex, CCDC: HOESUL02 (Geo)

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    #  Species Formula
  6970 Dysprosium complex, CCDC: AMAQDY (Geo)C42H44N6O16Dy2
  6971 Dysprosium complex, CCDC: DASFOS (Geo)C12H12O18F18Dy2
  6972 Dysprosium complex, CCDC: BACDAK (Geo)C42H34O20Cl12Dy2
  6973 Holmium complex, CCDC: XEQMEL (Geo)C27H27N4O3Ho
  6974 Holmium complex, CCDC: XEWVIE (Geo)C10H20N2O6Ho
  6975 Holmium complex, CCDC: ECOJEL (Geo)C41H56N7O6Ho
  6976 Holmium complex, CCDC: PHPRHO10 (Geo)C45H35O7Ho
  6977 Holmium complex, CCDC: XAWVOG (Geo)C15H15N5O8Ho
  6978 Holmium complex, CCDC: BAGBAN (Geo)C20H18N5O8Ho
  6979 Holmium complex, CCDC: BUVXOF01 (Geo)H18O9Ho
  6980 Holmium complex, CCDC: HOESUL02 (Geo) H18O9Ho
  6981 Holmium complex, CCDC: GINREA (Geo)C8H26O9Ho
  6982 Holmium complex, CCDC: KITGOJ (Geo)C8H26O9Ho
  6983 Holmium complex, CCDC: HANCII (Geo)C10H28O9Ho
  6984 Holmium complex, CCDC: GODKOZ (Geo)C16H26N4O9Ho
  6985 Holmium complex, CCDC: QOZVOQ (Geo)C12H26NO10Ho
  6986 Holmium complex, CCDC: CAQFUV (Geo)C11H13N10O10Ho
  6987 Holmium complex, CCDC: CUSYUK (Geo)C10H18N2O11Ho
  6988 Holmium complex, CCDC: LIZPAL (Geo)C10H18N2O11Ho
  6989 Holmium complex, CCDC: NUJBAV (Geo)C21H9N3O12Ho
  6990 Holmium complex, CCDC: XARVOB (Geo)C18H24N4O12Ho


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
Holmium complex, CCDC: HOESUL02
 <Ho-O2> <Ho-O2> <> <Ho-O4> <> <> <Ho-O4> <> <> <Ho-O6> <> <> <Ho-O6> GR=CCDC
 Ho     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.36140002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36140002 +1   82.1529262 +1    0.0000000 +0     1     2     0
  O     2.36190003 +1   91.4301434 +1  168.4569547 +1     1     2     3
  O     2.36190004 +1   93.9154979 +1   97.6289298 +1     1     2     3
  O     2.36229991 +1  173.5330886 +1  -14.5376662 +1     1     2     3
  O     2.36229997 +1   92.7508741 +1 -100.1784493 +1     1     2     3
  O     4.21972157 +1   92.9585010 +1  133.0629931 +1     1     2     3
  O     4.34857105 +1   84.3215403 +1  -27.5316706 +1     1     2     3
  O     4.35786789 +1   93.7557024 +1 -127.5405510 +1     1     2     3
  H     0.99390323 +1  133.5180390 +1   91.1224959 +1     4     1     2
  H     1.03199372 +1  125.1066875 +1  -92.3923866 +1     4     1     2
  H     0.98421707 +1  125.4235725 +1   13.8186958 +1    10     1     2
  H     0.98389582 +1  125.3859325 +1  165.7363434 +1    10     1     2
  H     1.00288047 +1  131.7733050 +1  176.0538426 +1     2     1     3
  H     1.00316803 +1  128.4103176 +1   -3.1027842 +1     2     1     3
  H     0.97765869 +1  131.0558459 +1   82.0017135 +1     7     1     2
  H     1.12714399 +1  129.9184326 +1  -93.4079731 +1     7     1     2
  H     0.99522472 +1  135.8934972 +1  -86.2465320 +1     5     1     2
  H     1.03549541 +1  123.8208641 +1   89.7884013 +1     5     1     2
  H     0.97631895 +1  132.8777246 +1   91.4504216 +1     3     1     2
  H     1.14020998 +1  129.1643058 +1  -92.6936314 +1     3     1     2
  H     1.00340300 +1  130.7510494 +1  103.6665568 +1     6     1     2
  H     1.00400457 +1  129.6971843 +1  -75.6215279 +1     6     1     2
  H     0.98326030 +1  128.0579028 +1   -2.7919497 +1     8     1     2
  H     0.98293708 +1  127.6761233 +1  178.2469008 +1     8     1     2
  H     0.98494995 +1  126.9860665 +1   11.2437766 +1     9     1     2
  H     0.98477916 +1  123.5912393 +1  162.5667819 +1     9     1     2