Accuracy

Dy_(CECLIF10) r   6946 Dysprosium complex, CCDC: CECLIF10 (Geo)

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    #  Species Formula
  6936 Terbium complex, CCDC: ZUNCEQ (Geo)C36H38N8O10Tb2
  6937 Terbium complex, CCDC: XUGBUW (Geo)C66H114O12Tb2
  6938 Terbium complex, CCDC: IDOZEG (Geo)C54H58N4O12Tb2
  6939 Terbium complex, CCDC: NIGYUX (Geo)C42H34N8O14Tb2
  6940 Terbium complex, CCDC: JAXWOU01 (Geo)C56H46O18Tb2
  6941 Terbium complex, CCDC: COSVOV (Geo)C64H56N6O26Tb2
  6942 Terbium complex, CCDC: XOCDIC (Geo)C12H12O18F18Tb2
  6943 Terbium complex, CCDC: BACBUC (Geo)C42H34O20Cl12Tb2
  6944 Dysprosium complex, CCDC: XEQMAH (Geo)C27H27N4O3Dy
  6945 Dysprosium complex, CCDC: TUQTUU01 (Geo)C48H66N8O5Dy
  6946 Dysprosium complex, CCDC: CECLIF10 (Geo) C6H24N6O6Dy
  6947 Dysprosium complex, CCDC: XAWVIA (Geo)C15H15N5O8Dy
  6948 Dysprosium complex, CCDC: BAFZUE (Geo)C20H18N5O8Dy
  6949 Dysprosium complex, CCDC: MANHOY (Geo)C29H23N6O8Dy
  6950 Dysprosium complex, CCDC: BUVXIZ01 (Geo)H18O9Dy
  6951 Dysprosium complex, CCDC: ZZZARG01 (Geo)H18O9Dy
  6952 Dysprosium complex, CCDC: FUXRAR (Geo)C6H24O9Dy
  6953 Dysprosium complex, CCDC: GINPUO (Geo)C8H26O9Dy
  6954 Dysprosium complex, CCDC: KITGEZ (Geo)C8H26O9Dy
  6955 Dysprosium complex, CCDC: HANCAA (Geo)C10H28O9Dy
  6956 Dysprosium complex, CCDC: BIHLIN (Geo)C23H37N3O9Dy


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
Dysprosium complex, CCDC: CECLIF10
 <Dy-O2> <Dy-O3> <> <Dy-O3> <> <> <Dy-O5> <> <> <Dy-O5> <> <> <Dy-O7> GR=CCDC
 Dy     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.35950001 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35959996 +1   93.7002990 +1    0.0000000 +0     1     2     0
  O     2.35959997 +1  102.3558579 +1  102.4631193 +1     1     2     3
  O     2.42529996 +1  144.8134102 +1  168.9253890 +1     1     2     3
  O     2.42530001 +1   66.6736173 +1 -129.9894095 +1     1     2     3
  O     2.42540000 +1  129.3035729 +1  -61.4423347 +1     1     2     3
  N     4.32943037 +1   34.0208976 +1 -148.5891503 +1     1     2     3
  N     4.10982484 +1  138.8697628 +1   92.0621294 +1     1     2     3
  N     4.33786256 +1  102.8242983 +1  -32.7527708 +1     1     2     3
  N     1.41765473 +1   90.8343238 +1   13.7666417 +1     9     1     2
  N     1.41812827 +1   85.7521495 +1   75.2679744 +1    10     1     2
  C     1.26147001 +1  173.0593119 +1 -149.4040795 +1     4     1     2
  C     1.47827360 +1  121.2273938 +1  160.4950194 +1    13     4     1
  H     1.03030507 +1  116.6187087 +1   59.5466608 +1     7     1     2
  H     0.97460213 +1  138.6382085 +1 -127.9434008 +1     7     1     2
  H     1.02951711 +1   95.3856981 +1  -95.0547212 +1     9     1     2
  H     1.03636721 +1  142.0677804 +1  137.3351583 +1     9     1     2
  H     1.03218913 +1  117.9054141 +1  178.0594536 +1    11     9     1
  H     1.10962483 +1  115.5080507 +1  168.9099808 +1    14    13     4
  H     1.11138530 +1  111.6127232 +1   48.1447291 +1    14    13     4
  H     1.11052238 +1  111.8690546 +1  -69.6700673 +1    14    13     4
  H     1.04710100 +1  116.2347263 +1  -11.3367922 +1     6     1     2
  H     0.97431361 +1  138.9529627 +1  158.6440696 +1     6     1     2
  H     1.00621790 +1  112.7278182 +1 -110.6161616 +1     5     1     2
  H     0.98093697 +1  142.5070677 +1   63.7348920 +1     5     1     2
  C     1.25969217 +1  179.9975677 +1  -76.2276738 +1     3     1     2
  C     1.25923201 +1  179.2901836 +1  171.9016100 +1     2     1     3
  H     1.03346889 +1   95.5551187 +1  -32.8874035 +1    10     1     2
  H     1.03630972 +1  145.7066460 +1 -166.5131482 +1    10     1     2
  N     1.35649036 +1  120.4371236 +1  -22.0771468 +1    28     2     1
  H     1.03538069 +1  101.4244922 +1 -109.2014145 +1     8     1     2
  H     1.03677580 +1  140.0258627 +1  113.6103512 +1     8     1     2
  C     1.48136465 +1  120.8452126 +1  148.3942095 +1    27     3     1
  C     1.48046751 +1  121.0227363 +1  155.9205782 +1    28     2     1
  H     1.03437377 +1  116.7560472 +1  171.8249837 +1    12    10     1
  H     1.03505880 +1  122.2942472 +1 -172.1337489 +1    31    28     2
  H     1.10984514 +1  115.5280877 +1  171.2769191 +1    34    27     3
  H     1.10816507 +1  111.7897538 +1   50.1964242 +1    34    27     3
  H     1.11064310 +1  111.6115099 +1  -67.8188024 +1    34    27     3
  H     1.11000453 +1  115.5475292 +1  170.8283887 +1    35    28     2
  H     1.10864065 +1  111.7157707 +1   49.7656809 +1    35    28     2
  H     1.11137324 +1  111.6275821 +1  -68.3287763 +1    35    28     2