Accuracy

Dy_(XAWVIA) r   6947 Dysprosium complex, CCDC: XAWVIA (Geo)

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    #  Species Formula
  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
  6957 Dysprosium complex, CCDC: VOSBOU (Geo)C16H28N5O9Dy


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=1.0
Dysprosium complex, CCDC: XAWVIA
 <Dy-O2> <Dy-O3> <> <Dy-O4> <> <> <Dy-O5> <> <> <> <> <> <> <> <> <Dy-N8> GR=CCDC
 Dy     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31639993 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.31870002 +1  106.4053814 +1    0.0000000 +0     1     2     0
  O     2.41695047 +1   61.3861486 +1  -94.6267088 +1     1     2     3
  O     2.43394575 +1  117.0564340 +1   63.1761223 +1     1     2     3
  O     2.15371707 +1  139.2208270 +1   76.6037277 +1     5     1     2
  O     2.14990162 +1  149.8676633 +1  171.8630419 +1     4     1     2
  N     2.48345953 +1  143.2408254 +1 -119.6695658 +1     1     2     3
  N     3.55745219 +1   84.0556691 +1  135.4621314 +1     1     2     3
  N     3.20726221 +1  130.5837104 +1  151.0293240 +1     1     2     3
  N     1.33202324 +1  179.9971528 +1  142.9090568 +1     4     1     2
  N     1.20330681 +1   33.9920938 +1  167.1799520 +1     6     5     1
  O     1.20636518 +1  129.8641141 +1  179.0179638 +1    12     6     5
  O     1.21076910 +1  113.5683540 +1 -149.6704612 +1    11     4     1
  C     1.34590528 +1  123.0758008 +1  -54.4739909 +1    10     1     2
  C     1.40818836 +1  121.2004581 +1 -127.5715011 +1    15    10     1
  C     1.39007318 +1  118.8521974 +1    0.7845277 +1    16    15    10
  C     1.39978917 +1  119.8215768 +1   -1.1793305 +1    17    16    15
  C     1.35315750 +1  100.2369981 +1  169.3887659 +1    10     1     2
  C     1.35614653 +1  116.6566359 +1  178.4644150 +1     9     1     2
  C     1.40162411 +1  122.4354459 +1 -177.8818780 +1    20     9     1
  C     1.39491573 +1  118.6949962 +1   -0.9953332 +1    21    20     9
  C     1.39178670 +1  119.3041267 +1    0.6846887 +1    22    21    20
  C     1.34746796 +1  125.3042859 +1    0.0928350 +1     9     1     2
  C     1.38179901 +1  127.5224069 +1 -137.6550613 +1     8     1     2
  C     1.39678981 +1  122.9301991 +1 -176.2411187 +1    25     8     1
  C     1.39386394 +1  119.9146162 +1   -1.4295283 +1    26    25     8
  C     1.39148414 +1  118.3685968 +1   -0.4754877 +1    27    26    25
  C     1.37302943 +1  117.2062447 +1   43.5000947 +1     8     1     2
  H     1.09260744 +1  120.4105150 +1  177.7297146 +1    16    15    10
  H     1.09690615 +1  120.4910721 +1  177.8723880 +1    17    16    15
  H     1.09024598 +1  120.4568970 +1  178.6721710 +1    18    17    16
  H     1.09004469 +1  121.2356576 +1  178.8340696 +1    21    20     9
  H     1.09542487 +1  120.0023712 +1 -179.8069521 +1    22    21    20
  H     1.09063566 +1  121.1422010 +1 -179.7904590 +1    23    22    21
  H     1.09550544 +1  115.7625779 +1   -1.7801668 +1    24     9     1
  H     1.09311584 +1  120.4922481 +1 -179.2040703 +1    26    25     8
  H     1.09736824 +1  120.5749082 +1  179.5540642 +1    27    26    25
  H     1.09455933 +1  120.8837793 +1 -178.0413056 +1    28    27    26
  H     1.11036089 +1  116.3522181 +1   -4.2069164 +1    29     8     1
  H     0.96666117 +1  150.0413859 +1  -57.6930941 +1     3     1     2
  H     0.97275225 +1  145.9560108 +1  -88.8890817 +1     2     1     3
  H     1.06663414 +1  103.9467992 +1  115.4756307 +1     3     1     2
  H     1.04114020 +1  109.2608740 +1   92.8494963 +1     2     1     3