Accuracy

Pr_(QIMRIN) r   6572 Praseodymium complex, CCDC: QIMRIN (Geo)

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    #  Species Formula
  6562 Praseodymium complex, CCDC: ZULRED (Geo)C34H34N5O7Pr
  6563 Praseodymium complex, CCDC: KAWBIT (Geo)C31H30N8O7Pr
  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


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: QIMRIN
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-O6> <> <> <> <> <> <Pr-N8> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.43470000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.46160018 +1  148.9022042 +1    0.0000000 +0     1     2     0
  O     2.48070026 +1   85.8043994 +1  157.3510468 +1     1     2     3
  O     2.53959974 +1   90.6780791 +1 -105.0494196 +1     1     2     3
  O     2.56131302 +1   98.3648566 +1   69.7800416 +1     1     2     3
  O     2.15358573 +1  177.6401266 +1  -11.7808576 +1     4     1     2
  N     2.62911001 +1   85.6721235 +1    0.2188005 +1     1     2     3
  O     2.14740223 +1  168.6600041 +1   63.7270769 +1     6     1     2
  N     5.40837557 +1   38.5575059 +1   29.7828629 +1     1     2     3
  O     2.14258913 +1  120.4695386 +1  173.6609427 +1     5     1     2
  N     1.30257442 +1  148.1033995 +1  -20.4048042 +1     4     1     2
  N     1.22270369 +1   33.0872867 +1 -177.9286746 +1    11     5     1
  N     1.21453196 +1   31.8333841 +1  155.2640931 +1     9     6     1
  N     2.23216869 +1   54.5174377 +1   94.1348161 +1    10     1     2
  N     1.27823939 +1  142.4180057 +1   47.1854483 +1     3     1     2
  N     1.35159850 +1  118.8397823 +1   -8.1587550 +1     8     1     2
  N     1.33355683 +1  100.0612729 +1  153.9264902 +1    10     1     2
  N     1.27286768 +1  173.2949894 +1 -160.8531786 +1     2     1     3
  N     2.21975675 +1  158.8633189 +1  110.2002395 +1     8     1     2
  O     1.22859184 +1  116.1111088 +1   -0.1784617 +1    12     4     1
  O     1.23079226 +1  124.3504675 +1  178.4012435 +1    14     9     6
  O     1.21081411 +1  126.1223678 +1  179.8858823 +1    13    11     5
  C     1.39803709 +1   35.4623061 +1  -63.0737652 +1    15    10     1
  C     1.30143509 +1  120.7640649 +1  116.2648824 +1    19     2     1
  C     1.39343886 +1   70.4508127 +1  117.3167547 +1    15    10     1
  C     2.44345380 +1  125.3749877 +1  -20.5400044 +1    19     2     1
  C     1.53169872 +1   36.4886247 +1  -85.9400770 +1    27    19     2
  C     1.44855302 +1  162.9970365 +1  -68.6078556 +1    15    10     1
  C     1.52561253 +1  110.1951200 +1  120.4238498 +1    28    27    19
  C     1.53349770 +1  111.9069127 +1 -116.6302132 +1    28    27    19
  C     1.41311697 +1   70.5976673 +1 -125.4053980 +1    20     8     1
  C     1.36567400 +1  128.7737783 +1  149.5232715 +1     8     1     2
  C     1.44892205 +1  161.9271456 +1   40.3348454 +1    20     8     1
  C     1.51074800 +1  112.5414088 +1  140.2779530 +1    16     3     1
  C     1.46833151 +1  125.5875032 +1  178.1727182 +1    26    15    10
  C     1.30702758 +1  120.7002692 +1  -42.4314964 +1    16     3     1
  C     1.46552283 +1  125.3860261 +1  178.2133664 +1    32    20     8
  C     1.52926495 +1  109.9420040 +1 -167.9551900 +1    35    16     3
  C     1.53157474 +1  106.3451013 +1   71.3447740 +1    35    16     3
  C     1.53202169 +1  107.5490471 +1  -48.1606193 +1    35    16     3
  H     1.10284216 +1  119.3215699 +1  178.0986818 +1    25    19     2
  H     1.09342419 +1   94.9434983 +1  149.9014826 +1    27    19     2
  H     1.10709588 +1   90.0062917 +1   42.2659811 +1    27    19     2
  H     1.09867810 +1  146.8774129 +1  -77.7637887 +1    27    19     2
  H     1.11751676 +1  110.6776240 +1  136.1234791 +1    29    15    10
  H     1.10856892 +1  112.0681845 +1   16.2039114 +1    29    15    10
  H     1.10544765 +1  111.0193884 +1 -104.4947467 +1    29    15    10
  H     1.09952424 +1  112.2026960 +1  -50.9618803 +1    30    28    27
  H     1.10354167 +1  113.0570527 +1 -172.8236651 +1    30    28    27
  H     1.09740792 +1  111.1417397 +1   67.9631441 +1    30    28    27
  H     1.09461419 +1  113.5148336 +1   51.9038957 +1    31    28    27
  H     1.09937169 +1  110.2750753 +1  -67.8591140 +1    31    28    27
  H     1.10090499 +1  111.6324005 +1  173.9829033 +1    31    28    27
  H     1.10989508 +1  110.8887439 +1  -39.2569365 +1    34    20     8
  H     1.10938643 +1  110.6306239 +1 -158.0484121 +1    34    20     8
  H     1.10700240 +1  111.0485958 +1   81.9864125 +1    34    20     8
  H     1.10365964 +1  111.3164138 +1  176.9626726 +1    36    26    15
  H     1.10707611 +1  112.2090150 +1   57.0049062 +1    36    26    15
  H     1.10397525 +1  111.9401100 +1  -62.8600929 +1    36    26    15
  H     1.09738607 +1  119.9987069 +1  178.7968890 +1    37    16     3
  H     1.11510716 +1  110.4845426 +1  177.6947282 +1    38    32    20
  H     1.09755751 +1  113.6239542 +1   56.5258279 +1    38    32    20
  H     1.11154465 +1  111.8224463 +1  -67.8033458 +1    38    32    20
  H     1.09438299 +1  113.4461084 +1  -66.2614991 +1    39    35    16
  H     1.10058116 +1  110.0762568 +1  174.6152419 +1    39    35    16
  H     1.10384413 +1  111.7979047 +1   57.1440179 +1    39    35    16
  H     1.10497311 +1  111.4959035 +1  -54.5310263 +1    40    35    16
  H     1.09713618 +1  110.8177072 +1 -173.3790235 +1    40    35    16
  H     1.09517335 +1  112.8232222 +1   66.0108512 +1    40    35    16
  H     1.09877511 +1  111.9733712 +1   64.5076114 +1    41    35    16
  H     1.10237789 +1  111.5285593 +1  -56.2942052 +1    41    35    16
  H     1.09615971 +1  111.0277724 +1 -175.7131719 +1    41    35    16