Accuracy

Ho_(NUJBAV) r   6989 Holmium complex, CCDC: NUJBAV (Geo)

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    #  Species Formula
  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
  6991 Holmium complex, CCDC: XORGEQ (Geo)C21H23O16Ho
  6992 Holmium complex, CCDC: LEYJEE (Geo)C12H30N3O18Ho
  6993 Holmium complex, CCDC: SIFZIQ (Geo)C15H7O8F18Ho
  6994 Holmium complex, CCDC: BEYSAZ (Geo)H8O12S2Ho
  6995 Holmium complex, CCDC: GAKYIA (Geo)C14H26O12S2Ho
  6996 Holmium complex, CCDC: FAGYOC (Geo)C14H20N2O12S2Ho
  6997 Holmium complex, CCDC: IDOZIK (Geo)C54H58N4O12Ho2
  6998 Holmium complex, CCDC: NIHRIF (Geo)C42H34N8O14Ho2
  6999 Holmium complex, CCDC: KAVLOI (Geo)C12H44N4O16Ho2


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: NUJBAV
 <Ho-O2> <Ho-O3> <> <Ho-O4> <> <> <Ho-O5> <> <> <Ho-O6> <> <> <Ho-O7> GR=CCDC
 Ho     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.38139997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.38300000 +1   92.2333418 +1    0.0000000 +0     1     2     0
  O     2.39139999 +1  165.5167580 +1  134.8159083 +1     1     2     3
  O     2.40150003 +1   76.8012080 +1 -175.0651507 +1     1     2     3
  O     2.40550000 +1   86.9441854 +1   84.6561493 +1     1     2     3
  O     2.40909995 +1   98.6165799 +1  -92.3849648 +1     1     2     3
  N     3.34880688 +1  140.8211223 +1    7.8495483 +1     1     2     3
  N     3.33892196 +1   49.3828477 +1  -88.3150499 +1     1     2     3
  N     3.30234341 +1   80.8565399 +1  134.3441696 +1     1     2     3
  O     2.25109698 +1  176.4368778 +1   65.5135476 +1     2     1     3
  O     2.25251446 +1  176.9319000 +1 -163.1035738 +1     3     1     2
  O     2.24986060 +1  175.7052167 +1 -104.9308181 +1     5     1     2
  O     2.25135006 +1  175.4059313 +1   31.9278727 +1     7     1     2
  O     2.24993670 +1  174.2672389 +1  119.8368049 +1     6     1     2
  O     2.25319499 +1  176.2180793 +1 -171.4389353 +1     4     1     2
  C     1.33768938 +1  110.1119032 +1  -75.0817489 +1    10     1     2
  C     1.39815373 +1  121.0205417 +1  142.2208310 +1    17    10     1
  C     1.39897504 +1  117.5882156 +1   -3.9262843 +1    18    17    10
  C     1.39848448 +1  120.5419825 +1   -4.2086217 +1    19    18    17
  C     1.33720467 +1  109.9064166 +1   60.6585565 +1    10     1     2
  C     1.21669157 +1   25.4152070 +1  -50.9223560 +1    15     6     1
  C     1.21677582 +1   25.4181252 +1   26.7983139 +1    13     5     1
  C     1.33815978 +1  107.8881983 +1  -21.4351810 +1     9     1     2
  C     1.39856310 +1  121.1904041 +1 -138.5637180 +1    24     9     1
  C     1.39823539 +1  117.6159454 +1    4.1654647 +1    25    24     9
  C     1.39881986 +1  120.3882673 +1    4.7428011 +1    26    25    24
  C     1.33836918 +1  108.4836024 +1 -153.5181041 +1     9     1     2
  C     1.21603167 +1   25.3670465 +1   34.9550641 +1    11     2     1
  C     1.21707038 +1   25.3526794 +1  -40.2411724 +1    14     7     1
  C     1.33802341 +1  108.0037995 +1   11.2046978 +1     8     1     2
  C     1.39799130 +1  121.1684358 +1  138.5010838 +1    31     8     1
  C     1.39867809 +1  117.5816331 +1   -4.2609938 +1    32    31     8
  C     1.39862140 +1  120.4114626 +1   -4.7896009 +1    33    32    31
  C     1.33793670 +1  108.1913516 +1  143.2495597 +1     8     1     2
  C     1.21602834 +1   25.2919568 +1  -35.6717530 +1    12     3     1
  C     1.21612594 +1   25.2180889 +1   46.1255728 +1    16     4     1
  H     1.07999707 +1  120.5000176 +1  177.9634899 +1    18    17    10
  H     1.08361234 +1  119.6723214 +1  178.8124770 +1    19    18    17
  H     1.08020045 +1  121.9317422 +1 -173.7875974 +1    20    19    18
  H     1.08032793 +1  120.4467013 +1 -178.0907424 +1    25    24     9
  H     1.08365794 +1  119.7910212 +1 -178.7053162 +1    26    25    24
  H     1.08000894 +1  121.8665268 +1  173.0872426 +1    27    26    25
  H     1.08020951 +1  120.5085780 +1  177.9203051 +1    32    31     8
  H     1.08370537 +1  119.7500859 +1  178.6378255 +1    33    32    31
  H     1.08011170 +1  121.8542856 +1 -173.0650578 +1    34    33    32