Accuracy

Pr_(FAGYIW) r   6591 Praseodymium complex, CCDC: FAGYIW (Geo)

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    #  Species Formula
  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
  6585 Praseodymium complex, CCDC: KUSXUR (Geo)C42H75N6O3Si6Pr
  6586 Praseodymium complex, CCDC: ZIFYOC (Geo)C50H46N5O21P4Pr
  6587 Praseodymium complex, CCDC: RASROS (Geo)C12H32N3O23P4Pr
  6588 Praseodymium complex, CCDC: POPJAF (Geo)C22H36N3O23P4Pr
  6589 Praseodymium complex, CCDC: ZAXRUL (Geo)C72H60N3O6P6Pr
  6590 Praseodymium complex, CCDC: ZAXSEW (Geo)C75H66N3O7P6Pr
  6591 Praseodymium complex, CCDC: FAGYIW (Geo) C7H20NO11SPr
  6592 Praseodymium complex, CCDC: DIYMUT (Geo)C20H26O12S2Pr
  6593 Praseodymium complex, CCDC: EFUJEU (Geo)C15H30N6O9F9S3Pr
  6594 Praseodymium complex, CCDC: DORDIX (Geo)C48H40N3O13S4Pr
  6595 Praseodymium complex, CCDC: ZOSGUJ (Geo)C50H69N4O12Pr2
  6596 Praseodymium complex, CCDC: PEHHIP (Geo)C32H28N6O14Pr2
  6597 Praseodymium complex, CCDC: QOBBIS (Geo)C52H36N6O14Pr2
  6598 Praseodymium complex, CCDC: JERWOS (Geo)C4H30O16Pr2
  6599 Praseodymium complex, CCDC: ACURLB (Geo)C16H34N8O16Pr2
  6600 Praseodymium complex, CCDC: CUMCOC (Geo)C16H28O18Pr2
  6601 Praseodymium complex, CCDC: HEDBOH (Geo)C30H42N8O18Pr2


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=2.0
Praseodymium complex, CCDC: FAGYIW
 <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     2.44580017 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45030046 +1   64.8370950 +1    0.0000000 +0     1     2     0
  O     2.47210027 +1  151.1099262 +1   -8.6964767 +1     1     2     3
  O     2.47859984 +1  107.5273241 +1  -75.2535688 +1     1     2     3
  O     2.50799991 +1   61.8928925 +1 -117.7201206 +1     1     2     3
  O     2.53589976 +1   92.7034315 +1 -171.3834849 +1     1     2     3
  O     4.45482185 +1  132.6927751 +1  -52.5189591 +1     1     2     3
  O     4.42528382 +1   64.4798165 +1  170.9539163 +1     1     2     3
  O     1.61321739 +1  103.4514044 +1  100.6222643 +1     1     2     3
  S     3.85907366 +1  137.7109857 +1 -143.5456528 +1     2     1     3
  N     1.83412548 +1   22.8133280 +1   31.9228417 +1    11     2     1
  O     1.43175942 +1  101.4868052 +1  -54.2364903 +1    11     2     1
  O     1.41334387 +1  122.0029221 +1   90.6328318 +1    11     2     1
  C     1.24971238 +1  150.8761768 +1 -142.7972201 +1     2     1     3
  C     1.47934455 +1  125.3462946 +1 -159.0375731 +1    15     2     1
  C     1.38051926 +1  125.5727012 +1   -8.0066731 +1    16    15     2
  C     1.40644018 +1  118.4610141 +1 -178.9075377 +1    17    16    15
  C     1.38646907 +1  120.4548036 +1   -0.0923182 +1    18    17    16
  C     1.41028433 +1  120.9316600 +1   -0.0954484 +1    19    18    17
  C     1.41430287 +1  113.2563425 +1  172.8715683 +1    16    15     2
  H     1.08957056 +1  121.1876747 +1    0.5568743 +1    17    16    15
  H     1.09662147 +1  119.2767603 +1  179.6708236 +1    18    17    16
  H     1.09889379 +1  119.9340189 +1  179.7065809 +1    19    18    17
  H     1.09905822 +1  119.0248342 +1  179.7757758 +1    20    19    18
  H     3.49504996 +1   89.0167240 +1   18.8918368 +1    10     1     2
  H     0.96688152 +1  106.2413468 +1    3.4976640 +1     9     1     2
  H     0.97566829 +1  125.8988953 +1  114.8930467 +1     4     1     2
  H     0.98124832 +1  118.4043269 +1    6.8245461 +1     3     1     2
  H     0.96986281 +1  129.3860420 +1   43.3801709 +1     8     1     2
  H     1.00295256 +1  117.9683122 +1  -28.0085681 +1     7     1     2
  H     0.97305394 +1  126.3366449 +1  -33.6230326 +1     5     1     2
  H     0.97281471 +1  123.3947156 +1   11.3972894 +1     6     1     2
  H     0.97689586 +1  124.6109870 +1 -137.0789653 +1     6     1     2
  H     0.97692302 +1  135.6945965 +1  171.5802442 +1     3     1     2
  H     0.99170495 +1  128.4554650 +1  147.3963416 +1     5     1     2
  H     0.97038810 +1  124.9732909 +1 -138.0104236 +1     8     1     2
  H     0.98769337 +1  129.1198112 +1  -70.9909410 +1     4     1     2
  H     0.96361661 +1  146.2557682 +1 -154.7188862 +1     9     1     2
  H     0.97045028 +1  132.1245483 +1 -174.0213614 +1     7     1     2
  H     0.98214467 +1  179.9618316 +1 -129.1266780 +1    10     1     2