Accuracy

Ho_(GINREA) r   6981 Holmium complex, CCDC: GINREA (Geo)

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


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: GINREA
 <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     2.33700003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34420003 +1   94.6287910 +1    0.0000000 +0     1     2     0
  O     2.38160004 +1   88.8153454 +1 -179.2406299 +1     1     2     3
  O     2.39590001 +1  179.9963419 +1   69.6285514 +1     1     2     3
  O     2.49210000 +1   88.8626691 +1   94.7637403 +1     1     2     3
  O     2.49669997 +1   99.4595809 +1  -90.8127312 +1     1     2     3
  O     3.64392856 +1   62.2568570 +1  -52.9889279 +1     1     2     3
  O     3.68011686 +1  133.5619743 +1  -46.2353951 +1     1     2     3
  O     4.09504119 +1   97.5676221 +1  -33.8444345 +1     1     2     3
  C     1.40806535 +1   85.5137995 +1  -81.2381902 +1     8     1     2
  C     1.52421879 +1  112.5903257 +1  -62.7996864 +1    11     8     1
  C     1.47289772 +1  120.2371007 +1 -176.5875313 +1     7     1     2
  C     1.42398548 +1  100.9746010 +1  -69.4250955 +1     9     1     2
  C     1.43714948 +1  127.1446074 +1  165.8334457 +1    10     1     2
  C     1.41876127 +1  129.9146794 +1   68.9512650 +1     9     1     2
  C     1.44554326 +1  114.3878870 +1    5.4617229 +1    10     1     2
  C     1.43291878 +1  140.3133742 +1  153.9987935 +1     8     1     2
  H     1.10403148 +1  103.7601917 +1   60.7988565 +1    11     8     1
  H     1.12201217 +1  111.0457574 +1  174.4854956 +1    11     8     1
  H     1.11119549 +1  111.9502448 +1  170.8505751 +1    12    11     8
  H     1.10880231 +1  110.2438340 +1  -65.8708439 +1    12    11     8
  H     1.10252606 +1  103.7985822 +1   31.0286893 +1    13     7     1
  H     1.11438955 +1  108.6711531 +1  145.3350702 +1    13     7     1
  H     1.10789335 +1  109.4050701 +1   96.1060303 +1    14     9     1
  H     1.11678972 +1  108.2556558 +1 -144.9287221 +1    14     9     1
  H     1.11031483 +1  101.4688653 +1   53.4046874 +1    16     9     1
  H     1.11477413 +1  109.9729838 +1  168.4742011 +1    16     9     1
  H     1.11124972 +1  106.2833902 +1  134.3917466 +1    15    10     1
  H     1.11018812 +1  110.7541417 +1 -107.0480165 +1    15    10     1
  H     1.10557133 +1  106.8950635 +1   57.5230821 +1    17    10     1
  H     1.11208805 +1  111.3529364 +1  177.1689796 +1    17    10     1
  H     1.10484142 +1  111.2311602 +1   85.1244974 +1    18     8     1
  H     1.11588739 +1  106.8206929 +1 -155.2137450 +1    18     8     1
  H     0.99718018 +1  131.9118564 +1  106.0634859 +1     6     1     2
  H     1.14709160 +1  118.1265089 +1  -99.7276979 +1     3     1     2
  H     1.02541584 +1  114.2186485 +1 -112.1008258 +1     5     1     2
  H     1.00576701 +1  128.6599118 +1  135.9630067 +1     4     1     2
  H     1.01221132 +1  123.6114461 +1   37.5916712 +1     2     1     3
  H     0.99960666 +1  128.2263091 +1  -78.7466600 +1     6     1     2
  H     0.96986555 +1  140.8055746 +1   80.2214530 +1     3     1     2
  H     1.00622864 +1  136.2348578 +1 -136.9877025 +1     2     1     3
  H     1.00463758 +1  132.3736752 +1  -41.9385352 +1     4     1     2
  H     0.99308463 +1  142.3661041 +1   55.9988062 +1     5     1     2