Accuracy

Pr_(PEHXIJ) r   6578 Praseodymium complex, CCDC: PEHXIJ (Geo)

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    #  Species Formula
  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
  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


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
Praseodymium complex, CCDC: PEHXIJ
 <Pr-O2> <Pr-O3> <> <> <> <> <> <> <> <Pr-O6> <> <> <> <> <> <Pr-O8> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.52091020 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.55310012 +1   94.2795013 +1    0.0000000 +0     1     2     0
  O     2.12995348 +1   92.7167093 +1 -158.8697269 +1     2     1     3
  O     2.13722073 +1  104.7372044 +1  155.2496355 +1     3     1     2
  O     2.58790034 +1  111.8247265 +1  111.2013883 +1     1     2     3
  O     2.13744424 +1   95.2642131 +1  -39.3665056 +1     6     1     2
  O     2.63299964 +1   88.7823968 +1 -127.0363160 +1     1     2     3
  O     3.11104670 +1  179.9973506 +1  146.4482296 +1     1     2     3
  O     2.96353097 +1  122.2217217 +1 -177.5067538 +1     1     2     3
  O     2.79298220 +1   70.5269073 +1  149.8287309 +1     9     1     2
  O     2.74907701 +1   69.6871532 +1   79.6343914 +1     8     1     2
  N     1.23162185 +1   33.5261278 +1 -178.2877741 +1     5     3     1
  N     1.30758336 +1  124.6627548 +1 -154.1038324 +1     2     1     3
  O     2.17091078 +1  155.1164576 +1  -26.2021001 +1     6     1     2
  N     1.20536480 +1   31.9658661 +1  -15.5812057 +1    15     6     1
  O     1.19948153 +1  120.1677589 +1  172.7653858 +1    14     2     1
  O     1.20598645 +1  126.0299315 +1 -178.6025817 +1    13     5     3
  C     1.46748531 +1  127.7863091 +1   57.7529795 +1     8     1     2
  C     1.53185768 +1  113.8164062 +1    5.8076938 +1    19     8     1
  C     1.41544940 +1  129.6968769 +1  110.6297920 +1    12     8     1
  C     1.41868395 +1  162.6390233 +1  -93.7435892 +1    11     9     1
  C     1.41900085 +1   60.0538262 +1 -166.7621776 +1    11     9     1
  C     1.42210151 +1  124.4185947 +1  173.0617070 +1     9     1     2
  C     1.42159235 +1  118.2612593 +1  -25.5477639 +1     9     1     2
  C     1.54168613 +1  110.1253470 +1   82.5097363 +1    25     9     1
  C     1.43634328 +1  123.6082454 +1 -120.7429798 +1    10     1     2
  C     1.40393957 +1  122.1093474 +1   54.4652223 +1    10     1     2
  C     1.54050774 +1  111.8289569 +1    7.4461397 +1    28    10     1
  C     1.54483254 +1  105.8054222 +1  175.7803099 +1    26    25     9
  C     1.52850118 +1  110.2227111 +1   57.1087460 +1    26    25     9
  H     1.10671398 +1  107.3611561 +1 -117.0030886 +1    19     8     1
  H     1.10945430 +1  105.3220503 +1  124.9207816 +1    19     8     1
  H     1.10980767 +1  108.3908815 +1  156.0239713 +1    20    19     8
  H     1.11306277 +1  113.4837594 +1  -84.3588691 +1    20    19     8
  H     1.11716110 +1  101.0989952 +1 -134.2726649 +1    21    12     8
  H     1.10356901 +1  111.4973458 +1  109.0842071 +1    21    12     8
  H     1.10177910 +1  108.9185200 +1   -0.4696548 +1    22    11     9
  H     1.10787645 +1  109.6882838 +1 -120.2356452 +1    22    11     9
  H     1.10928246 +1  109.5373119 +1 -146.5831995 +1    23    11     9
  H     1.10214451 +1  108.4841511 +1   93.7930463 +1    23    11     9
  H     1.10850548 +1  110.2623958 +1 -174.2600163 +1    24     9     1
  H     1.11300290 +1  105.5561136 +1   66.9753561 +1    24     9     1
  H     1.11608212 +1  103.4845096 +1  -37.0453070 +1    25     9     1
  H     1.10145476 +1  111.5345102 +1 -153.7404505 +1    25     9     1
  H     1.10391543 +1  109.8082051 +1  158.9353872 +1    27    10     1
  H     1.11927957 +1  101.7657631 +1   43.4927190 +1    27    10     1
  H     1.11186986 +1  107.8078456 +1 -113.7614468 +1    28    10     1
  H     1.10923132 +1  108.6958106 +1  128.3482615 +1    28    10     1
  H     1.11069861 +1  107.5033712 +1  122.7174665 +1    29    28    10
  H     1.10955555 +1  109.7737263 +1 -117.3753330 +1    29    28    10
  H     1.10015829 +1  111.4017349 +1   59.9015787 +1    30    26    25
  H     1.09566804 +1  111.5768285 +1  -60.0218205 +1    30    26    25
  H     1.09477155 +1  111.8868176 +1 -179.7407638 +1    30    26    25
  H     1.09621266 +1  111.4882063 +1   59.7519266 +1    31    26    25
  H     1.09631256 +1  110.6961950 +1  -59.9070451 +1    31    26    25
  H     1.09456034 +1  111.9471752 +1  179.4882439 +1    31    26    25