Accuracy

Ho_(XARVOB) r   6990 Holmium complex, CCDC: XARVOB (Geo)

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    #  Species Formula
  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
  7000 Holmium complex, CCDC: COZHEE (Geo)C36H32N6O16Ho2


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: XARVOB
 <Ho-O2> <Ho-O3> <> <Ho-O4> <> <> <Ho-O5> <> <> <Ho-O6> <> <> <Ho-N7> GR=CCDC
 Ho     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.30689999 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.32250003 +1  114.8404828 +1    0.0000000 +0     1     2     0
  O     2.32540001 +1  114.2674210 +1   94.5337954 +1     1     2     3
  O     2.33880000 +1  124.0676144 +1 -158.4274519 +1     1     2     3
  O     2.41310003 +1   79.6415784 +1  -94.4242059 +1     1     2     3
  N     2.61569996 +1   76.1089998 +1  146.6445931 +1     1     2     3
  N     3.75093992 +1   72.5998251 +1   26.0363508 +1     1     2     3
  N     3.33628771 +1   71.9322762 +1 -147.6941963 +1     1     2     3
  N     3.37265178 +1   51.1981138 +1   79.4822650 +1     1     2     3
  O     2.21866340 +1  171.6622486 +1  117.6383844 +1     3     1     2
  O     2.23679680 +1  168.0365257 +1  -20.1637745 +1     6     1     2
  O     2.25054419 +1  156.5264101 +1   89.5885444 +1     4     1     2
  O     2.22526904 +1  179.9974743 +1  -79.9360401 +1     2     1     3
  O     2.22554731 +1  175.2219600 +1   25.0667804 +1     5     1     2
  O     2.86043498 +1  177.6633634 +1  -75.8930106 +1     8     1     2
  O     2.21960148 +1   92.4385363 +1    9.8095918 +1    16     8     1
  C     1.22526392 +1   27.1518315 +1   -2.3103389 +1    15     5     1
  C     1.46092020 +1  106.6849460 +1  176.8491489 +1     9     1     2
  H     1.11125136 +1  110.6462895 +1  -97.9807468 +1    19     9     1
  H     1.10213679 +1  114.1362354 +1  141.3065912 +1    19     9     1
  C     1.22344468 +1   26.0547334 +1  -37.9541987 +1    12     6     1
  C     1.46447187 +1  101.0851055 +1   56.4795651 +1     9     1     2
  H     1.11436536 +1  110.1794863 +1  -71.1516792 +1    23     9     1
  H     1.09753418 +1  114.8018422 +1  166.0309682 +1    23     9     1
  C     1.46447088 +1   98.2476368 +1  -61.6713376 +1     9     1     2
  H     1.10807846 +1  113.7284483 +1 -171.8264059 +1    26     9     1
  H     1.11830518 +1  107.7777786 +1   69.1410373 +1    26     9     1
  C     1.53241925 +1  117.8926645 +1   88.2676184 +1     7     1     2
  H     1.10566128 +1  110.7636101 +1 -171.9320723 +1    29     7     1
  H     1.11410495 +1  107.5278994 +1   72.8553848 +1    29     7     1
  C     1.21811708 +1   25.3866609 +1  -16.2416728 +1    13     4     1
  C     1.51678150 +1  108.3739130 +1 -156.1581939 +1     7     1     2
  H     1.11670058 +1  108.7728948 +1  -74.9102237 +1    33     7     1
  H     1.09442549 +1  113.7230865 +1  164.6813844 +1    33     7     1
  C     1.51900394 +1  115.4856867 +1  -35.3677503 +1     7     1     2
  H     1.10847887 +1  110.6511724 +1 -177.8163872 +1    36     7     1
  H     1.11468310 +1  106.1261373 +1   66.2795398 +1    36     7     1
  C     1.55202707 +1  116.4364270 +1  -55.5387211 +1    36     7     1
  H     1.11346757 +1  109.9899745 +1  -46.1049324 +1    39    36     7
  H     1.10951169 +1  108.0714941 +1 -161.2906697 +1    39    36     7
  C     1.22379541 +1   27.0912494 +1    8.4639343 +1    14     2     1
  C     1.46776103 +1  107.7260848 +1   -8.3649269 +1    10     1     2
  H     1.10844628 +1  112.0841727 +1 -108.7241949 +1    43    10     1
  H     1.10392667 +1  114.1495849 +1  130.0804997 +1    43    10     1
  C     1.48245513 +1  110.8991682 +1 -136.5799339 +1    10     1     2
  H     1.12160117 +1  105.2760385 +1  -44.9890112 +1    46    10     1
  H     1.10748245 +1  112.3468993 +1 -162.0616582 +1    46    10     1
  C     1.48268367 +1  113.0569261 +1   63.0339546 +1     8     1     2
  H     1.11053503 +1  108.8135693 +1 -103.4980451 +1    49     8     1
  H     1.11468156 +1  112.2084965 +1  140.8377242 +1    49     8     1
  C     1.27966108 +1  149.1529891 +1   63.2675277 +1     3     1     2
  C     1.47787842 +1   88.8337476 +1  176.6240110 +1     8     1     2
  H     1.10879907 +1  110.2434035 +1  -74.2052538 +1    53     8     1
  H     1.10916563 +1  112.8649781 +1  165.9476408 +1    53     8     1
  C     1.24144391 +1   65.7801936 +1    8.5187742 +1    16     8     1
  C     1.48026941 +1  120.1047448 +1  -69.4628977 +1     8     1     2
  H     1.10937867 +1  107.3790923 +1   56.7495271 +1    57     8     1
  H     1.10902026 +1  109.1674066 +1  -58.3128087 +1    57     8     1