Accuracy

Ho_(HANCII) r   6983 Holmium complex, CCDC: HANCII (Geo)

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    #  Species Formula
  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
  6993 Holmium complex, CCDC: SIFZIQ (Geo)C15H7O8F18Ho


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: HANCII
 <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     2.34709976 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.37819929 +1  147.4672428 +1    0.0000000 +0     1     2     0
  O     2.38179990 +1   71.5295556 +1   -3.1976150 +1     1     2     3
  O     2.46980012 +1   85.2023203 +1   87.5325168 +1     1     2     3
  O     2.39680032 +1   78.1063071 +1 -178.0364378 +1     1     2     3
  O     2.40660000 +1  133.5482456 +1 -132.6337398 +1     1     2     3
  O     4.17327212 +1  179.9965346 +1 -156.3336290 +1     1     2     3
  O     3.45082593 +1  138.5873800 +1  105.6393398 +1     1     2     3
  O     3.73389809 +1   43.6719460 +1   49.9961456 +1     1     2     3
  C     1.49846046 +1  134.1414538 +1  140.8649714 +1     7     1     2
  C     1.43358858 +1   85.6590399 +1   14.0140416 +1     8     1     2
  C     1.43412788 +1  113.4204771 +1 -102.7509753 +1     8     1     2
  C     1.42336783 +1  139.3222095 +1  145.9818296 +1     9     1     2
  C     1.42130256 +1  101.4683162 +1  -12.7234848 +1     9     1     2
  C     1.47413818 +1  124.3412620 +1 -163.5847566 +1     5     1     2
  C     1.46151989 +1  123.0943506 +1    8.0823224 +1     5     1     2
  C     1.42826397 +1   96.2750993 +1  129.3344748 +1    10     1     2
  C     1.42937840 +1   95.2066106 +1 -114.1289195 +1    10     1     2
  C     1.49772093 +1  133.7461763 +1   11.3489810 +1     4     1     2
  H     1.11199739 +1  105.7114216 +1 -145.3625380 +1    11     7     1
  H     1.10716427 +1  103.1707412 +1  -29.4412246 +1    11     7     1
  H     1.12368588 +1  104.8910277 +1  161.6390403 +1    12     8     1
  H     1.10481146 +1  111.5402451 +1  -81.0198305 +1    12     8     1
  H     1.11568925 +1  107.7257479 +1  156.0693851 +1    13     8     1
  H     1.11435515 +1  100.5479380 +1  -89.9740074 +1    13     8     1
  H     1.11414178 +1  112.1159572 +1 -176.8592283 +1    14     9     1
  H     1.10648212 +1  106.0987104 +1  -59.1559153 +1    14     9     1
  H     1.10633755 +1  108.0612573 +1   80.6557039 +1    15     9     1
  H     1.11628435 +1  111.0917168 +1 -160.2032057 +1    15     9     1
  H     1.10616673 +1  103.4455757 +1   46.9516833 +1    16     5     1
  H     1.10845987 +1  109.5870434 +1  163.5250039 +1    16     5     1
  H     1.10510383 +1  103.4686861 +1   35.3503946 +1    17     5     1
  H     1.11273784 +1  108.8930177 +1  149.9750188 +1    17     5     1
  H     1.10630215 +1  111.8288718 +1   93.7735270 +1    18    10     1
  H     1.12300765 +1  103.6404254 +1 -149.8911430 +1    18    10     1
  H     1.12405617 +1  104.8715454 +1  159.9194841 +1    19    10     1
  H     1.10683776 +1  111.8090178 +1  -83.1540047 +1    19    10     1
  H     1.11276818 +1  106.4921351 +1 -161.9657949 +1    20     4     1
  H     1.10556667 +1  103.2026878 +1  -46.5431327 +1    20     4     1
  H     0.99684155 +1  119.7774144 +1  -44.8421829 +1     7     1     2
  H     0.99800277 +1  120.3472371 +1 -172.6721388 +1     4     1     2
  H     1.05259527 +1  112.0494249 +1  -52.0720756 +1     2     1     3
  H     0.98930019 +1  144.9836718 +1  128.9166327 +1     2     1     3
  H     0.97240322 +1  142.8874701 +1   -2.0309992 +1     3     1     2
  H     1.11768693 +1  117.1069798 +1  173.9094515 +1     3     1     2
  H     1.00178088 +1  129.7770023 +1 -117.4256131 +1     6     1     2
  H     1.00460082 +1  129.9623392 +1   50.6725722 +1     6     1     2