Accuracy

Ho_(KITGOJ) r   6982 Holmium complex, CCDC: KITGOJ (Geo)

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    #  Species Formula
  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
  6991 Holmium complex, CCDC: XORGEQ (Geo)C21H23O16Ho
  6992 Holmium complex, CCDC: LEYJEE (Geo)C12H30N3O18Ho


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: KITGOJ
 <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     2.34150002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36180000 +1  102.3055411 +1    0.0000000 +0     1     2     0
  O     2.36890001 +1   80.6669128 +1  138.5578932 +1     1     2     3
  O     2.36980000 +1  138.3551480 +1 -126.3399038 +1     1     2     3
  O     2.41230000 +1  151.0237448 +1   64.4360403 +1     1     2     3
  O     2.44349998 +1   76.6208670 +1  -68.0219382 +1     1     2     3
  O     4.09346863 +1   33.3868623 +1  -98.0412422 +1     1     2     3
  O     3.65660526 +1  123.2139529 +1  -44.4066436 +1     1     2     3
  O     4.17972701 +1  161.0871110 +1  -73.7963801 +1     1     2     3
  C     1.48915719 +1  135.0629176 +1  153.3997837 +1     6     1     2
  C     1.43066600 +1   88.3966828 +1  147.7456376 +1    10     1     2
  C     1.42734937 +1  117.6278469 +1   28.4117365 +1    10     1     2
  C     1.42399078 +1  138.0866708 +1  169.8974430 +1     9     1     2
  C     1.42197441 +1  100.4331262 +1  -32.8854852 +1     9     1     2
  C     1.47244852 +1  124.2223589 +1 -163.0902650 +1     7     1     2
  C     1.46854009 +1  125.9018808 +1   20.0586042 +1     7     1     2
  C     1.51750218 +1  110.2866052 +1  -95.3554436 +1    17     7     1
  H     0.99908207 +1  118.1534251 +1  -38.4788830 +1     6     1     2
  H     1.00098047 +1  145.1855799 +1   15.6369744 +1     8     1     2
  H     1.00527224 +1  131.5741272 +1 -165.5825319 +1     4     1     2
  H     1.00670808 +1  128.9271092 +1   14.9742326 +1     4     1     2
  H     0.97761012 +1  138.5830401 +1  -84.9857352 +1     2     1     3
  H     1.13492741 +1  120.6395860 +1   97.2341691 +1     2     1     3
  H     0.98044258 +1  140.9416214 +1  -40.3465207 +1     5     1     2
  H     1.09336629 +1  117.2773612 +1  145.9632152 +1     5     1     2
  H     1.03395255 +1  112.4825987 +1 -125.5857326 +1     3     1     2
  H     0.98897642 +1  143.1866718 +1   41.4246013 +1     3     1     2
  H     1.11324725 +1  105.7346538 +1 -140.5607030 +1    11     6     1
  H     1.10566784 +1  103.3539011 +1  -24.4947379 +1    11     6     1
  H     1.12360915 +1  105.3647845 +1  156.7447443 +1    12    10     1
  H     1.10487340 +1  111.3288198 +1  -85.6888019 +1    12    10     1
  H     1.11740653 +1  108.0714079 +1  160.7135224 +1    13    10     1
  H     1.11233366 +1  101.0058520 +1  -85.4292991 +1    13    10     1
  H     1.11366243 +1  111.9518967 +1  174.5432694 +1    14     9     1
  H     1.10928717 +1  103.3155365 +1  -69.8872616 +1    14     9     1
  H     1.10942066 +1  106.0347129 +1   92.5279276 +1    15     9     1
  H     1.11485666 +1  111.6275411 +1 -149.7225961 +1    15     9     1
  H     1.10519227 +1  103.3849071 +1   33.4319098 +1    16     7     1
  H     1.11032175 +1  108.9153575 +1  148.6868333 +1    16     7     1
  H     1.10728651 +1  103.9369113 +1   26.7287702 +1    17     7     1
  H     1.11138040 +1  108.4949083 +1  141.0572450 +1    17     7     1
  H     1.11588658 +1  112.4909267 +1 -155.0752721 +1    18    17     7
  H     1.11380679 +1  113.7479542 +1  -31.1507616 +1    18    17     7