Accuracy

Ho_(BUVXOF01) r   6979 Holmium complex, CCDC: BUVXOF01 (Geo)

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    #  Species Formula
  6969 Dysprosium complex, CCDC: QQQEMM01 (Geo)C12H26O16Dy2
  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


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: BUVXOF01
 <Ho-O2> <Ho-O3> <> <Ho-O4> <> <> <Ho-O5> <> <> <Ho-O*> <> <> <Ho-O6> GR=CCDC
 Ho     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.36700003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36710000 +1   81.8790758 +1    0.0000000 +0     1     2     0
  O     2.36750001 +1   87.9255402 +1  164.7644666 +1     1     2     3
  O     2.36760004 +1   97.5368677 +1   94.7755266 +1     1     2     3
  O     2.36799998 +1   82.5687224 +1 -101.0193335 +1     1     2     3
  O     2.36810005 +1  162.2992601 +1  -79.9713447 +1     1     2     3
  O     4.22921214 +1   92.8276271 +1  129.8580242 +1     1     2     3
  O     4.39251822 +1  157.7864044 +1 -162.9936997 +1     1     2     3
  O     4.37651127 +1   83.8360085 +1  -26.8785670 +1     1     2     3
  H     0.98415774 +1  125.9540070 +1   10.1046086 +1    10     1     2
  H     1.00298295 +1  127.9787341 +1  176.8013182 +1     6     1     2
  H     1.00293230 +1  131.9122757 +1   -0.0777859 +1     6     1     2
  H     0.98447040 +1  124.3131046 +1  160.8675147 +1    10     1     2
  H     0.98309207 +1  124.1634189 +1   59.0459085 +1     9     1     2
  H     0.98358811 +1  125.6879837 +1 -151.0136382 +1     9     1     2
  H     0.98320717 +1  127.5169342 +1   -9.4432530 +1     8     1     2
  H     0.98262359 +1  128.0838061 +1  171.2170652 +1     8     1     2
  H     1.03508747 +1  124.2292267 +1  -97.5658787 +1     4     1     2
  H     0.99438571 +1  135.1602662 +1   87.6279181 +1     4     1     2
  H     1.00329422 +1  128.0463866 +1    3.8097407 +1     2     1     3
  H     1.00351204 +1  131.8080242 +1 -171.1016916 +1     2     1     3
  H     1.13402802 +1  130.3924986 +1 -121.9517961 +1     7     1     2
  H     0.97546460 +1  130.9848253 +1   64.9968705 +1     7     1     2
  H     1.03367633 +1  124.4447679 +1   84.3360048 +1     5     1     2
  H     0.99525067 +1  135.3761877 +1  -97.0889675 +1     5     1     2
  H     1.14240684 +1  130.0732728 +1  -92.2831543 +1     3     1     2
  H     0.97561581 +1  131.8737637 +1   91.5637853 +1     3     1     2