Accuracy

Pr_(XOKYIF) r   6574 Praseodymium complex, CCDC: XOKYIF (Geo)

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    #  Species Formula
  6564 Praseodymium complex, CCDC: CAZGUF (Geo)C15H25O8Pr
  6565 Praseodymium complex, CCDC: BUVWIY01 (Geo)H18O9Pr
  6566 Praseodymium complex, CCDC: BAFYOX (Geo)C20H20N5O9Pr
  6567 Praseodymium complex, CCDC: KAHGEF (Geo)C16H18N7O9Pr
  6568 Praseodymium complex, CCDC: ECABAL (Geo)C24H16N7O9Pr
  6569 Praseodymium complex, CCDC: FEDYAO (Geo)C18H33N6O10Pr
  6570 Praseodymium complex, CCDC: DUCHAK (Geo)C13H12N9O10Pr
  6571 Praseodymium complex, CCDC: BIFYUK (Geo)C10H18N2O11Pr
  6572 Praseodymium complex, CCDC: QIMRIN (Geo)C18H32N11O11Pr
  6573 Praseodymium complex, CCDC: QOZVEG (Geo)C12H24N2O12Pr
  6574 Praseodymium complex, CCDC: XOKYIF (Geo) C6H24O13Pr
  6575 Praseodymium complex, CCDC: FATWOM (Geo)C12H16N3O13Pr
  6576 Praseodymium complex, CCDC: JEXXUF (Geo)C12H24N5O13Pr
  6577 Praseodymium complex, CCDC: XAVWUM (Geo)C10H20N3O14Pr
  6578 Praseodymium complex, CCDC: PEHXIJ (Geo)C13H26N3O14Pr
  6579 Praseodymium complex, CCDC: RUGQUF (Geo)C22H26N3O14Pr
  6580 Praseodymium complex, CCDC: QOVXII (Geo)C8H20O15Pr
  6581 Praseodymium complex, CCDC: SERWOB01 (Geo)C12H24N3O15Pr
  6582 Praseodymium complex, CCDC: HEDKAC (Geo)C22H28N5O16Pr
  6583 Praseodymium complex, CCDC: QISQEO (Geo)C8H12N16O16Pr
  6584 Praseodymium complex, CCDC: LEJSOI (Geo)C12H16N6O20Pr


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
Praseodymium complex, CCDC: XOKYIF
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-O6> <> <> <Pr-O7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.47320000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.48199969 +1  101.9415513 +1    0.0000000 +0     1     2     0
  O     2.48969969 +1  102.9115886 +1  -77.1410182 +1     1     2     3
  O     2.49080002 +1   86.0285878 +1   91.6016537 +1     1     2     3
  O     2.49509963 +1  105.3710500 +1  177.8040291 +1     1     2     3
  O     2.49789745 +1  168.7178669 +1  152.2962907 +1     1     2     3
  O     4.41959217 +1   27.8143829 +1  -19.7461082 +1     1     2     3
  O     4.18877384 +1  130.8967195 +1  -56.9928147 +1     1     2     3
  O     2.65347238 +1  114.1918736 +1    5.0871951 +1     7     1     2
  C     1.22974630 +1  179.9947075 +1  154.5352411 +1     7     1     2
  C     1.21911203 +1  132.7621780 +1  146.8807138 +1    10     7     1
  C     1.51412062 +1  120.7989851 +1  -47.8368477 +1    12    10     7
  C     1.55451094 +1  108.8931922 +1  106.8251693 +1    13    12    10
  C     1.55231221 +1  118.0202263 +1  -61.8883727 +1    14    13    12
  C     1.52617552 +1  117.9425285 +1  -44.4385063 +1    11     7     1
  O     1.41909156 +1  100.3975184 +1   82.6175413 +1    16    11     7
  O     1.40652809 +1  107.0767758 +1  -12.8035662 +1    13    12    10
  O     1.40706123 +1  103.0487995 +1   51.4324486 +1    14    13    12
  O     1.41216997 +1  106.9295420 +1 -138.7320066 +1    15    14    13
  H     0.99671296 +1  126.6243979 +1  149.5958445 +1     5     1     2
  H     0.97885366 +1  128.2770197 +1   76.1513608 +1     8     1     2
  H     0.99372679 +1  136.2087945 +1   62.1312059 +1     3     1     2
  H     1.08819057 +1  120.0429727 +1  154.7738641 +1     4     1     2
  H     0.98391104 +1   91.4880476 +1 -166.4571272 +1     9     1     2
  H     1.04088096 +1  117.9769763 +1 -163.5847145 +1     6     1     2
  H     0.97653958 +1  132.7960466 +1 -162.6985128 +1     2     1     3
  H     1.10149400 +1  118.7312090 +1  131.7050734 +1    11     7     1
  H     1.10946856 +1  119.9596673 +1  128.9478566 +1    12    10     7
  H     1.12587070 +1  110.1197894 +1 -132.5754828 +1    13    12    10
  H     1.12067648 +1  110.2109867 +1  171.8265841 +1    14    13    12
  H     1.12176003 +1  109.6407975 +1  102.4687171 +1    15    14    13
  H     1.11787862 +1  112.9554996 +1  -30.7360524 +1    16    11     7
  H     0.99122299 +1  110.7004979 +1 -155.7180745 +1    18    13    12
  H     0.99189268 +1  113.1485446 +1  111.6438770 +1    19    14    13
  H     0.99542937 +1  111.5099513 +1  -84.7126922 +1    20    15    14
  H     1.01467095 +1  109.1672854 +1  144.6083885 +1    17    16    11
  H     0.99595372 +1  132.2009885 +1  -23.2058783 +1     5     1     2
  H     0.99878174 +1  122.2055214 +1 -119.5570622 +1     3     1     2
  H     1.10231206 +1  127.8199926 +1   19.8128563 +1     2     1     3
  H     0.97878623 +1  140.4196394 +1   18.4396881 +1     6     1     2
  H     0.97364931 +1  138.2904839 +1  -25.9045991 +1     4     1     2
  H     0.97979964 +1  124.0939701 +1  -82.2210966 +1     8     1     2
  H     0.97487223 +1  152.7261570 +1  -33.8718470 +1     9     1     2