Accuracy

Pr_(FEDYAO) r   6569 Praseodymium complex, CCDC: FEDYAO (Geo)

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    #  Species Formula
  6559 Praseodymium complex, CCDC: YOTYUB (Geo)C45H82N9O5Pr
  6560 Praseodymium complex, CCDC: PELGOC (Geo)C27H29N2O6Pr
  6561 Praseodymium complex, CCDC: VELRUZ (Geo)C16H38N2O7Pr
  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


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: FEDYAO
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-N5> <> <> <Pr-N6> <> <> <> <> <> <Pr-N8> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.26330000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.55910019 +1  103.3958683 +1    0.0000000 +0     1     2     0
  O     2.61189966 +1  114.2646727 +1  169.6899009 +1     1     2     3
  N     2.64780001 +1   69.2351790 +1 -115.9940087 +1     1     2     3
  N     2.66260005 +1  114.8258077 +1   99.5621527 +1     1     2     3
  O     2.14090955 +1  121.3187584 +1  112.1799046 +1     4     1     2
  N     2.67410044 +1  135.0210491 +1 -104.5025057 +1     1     2     3
  O     2.14655823 +1  122.0782438 +1   96.1546505 +1     3     1     2
  O     3.14719447 +1   80.0376080 +1 -115.7336498 +1     2     1     3
  N     3.25361418 +1  162.4046257 +1   34.0744962 +1     1     2     3
  N     1.22544290 +1   32.6651175 +1  162.5820687 +1     9     3     1
  O     4.03381343 +1  148.6323420 +1  -62.0391672 +1     2     1     3
  N     1.29080014 +1  151.9665366 +1  103.1209526 +1     4     1     2
  O     1.21329601 +1  125.3171384 +1 -176.4806227 +1    12     9     3
  O     1.21018153 +1  118.7254432 +1 -167.8153978 +1    14     4     1
  O     2.27355992 +1   55.8102594 +1  -72.0274421 +1    13     2     1
  C     1.28270768 +1  147.3183073 +1  134.0888322 +1     2     1     3
  C     1.42357761 +1  117.9128411 +1  160.0727189 +1    18     2     1
  C     1.37273353 +1  119.9041717 +1 -178.8959010 +1    19    18     2
  C     1.41561879 +1  120.2055336 +1   -1.2262380 +1    20    19    18
  C     1.49120377 +1  118.6706121 +1 -179.3681939 +1    21    20    19
  C     1.37788766 +1  119.8898965 +1    1.1797887 +1    21    20    19
  C     1.41561495 +1  121.2894223 +1  -18.8367032 +1    18     2     1
  C     1.31371293 +1  129.6589708 +1   -7.3718181 +1     5     1     2
  C     1.48080805 +1  114.5208449 +1 -179.9992155 +1     5     1     2
  C     1.50121588 +1  110.5034453 +1   10.9470698 +1     8     1     2
  C     1.50222870 +1  119.3149125 +1  139.4190947 +1     8     1     2
  C     1.47532463 +1  107.9145031 +1 -154.7923366 +1    11     1     2
  C     1.47736087 +1  108.1142010 +1   80.4014024 +1    11     1     2
  C     1.50245939 +1  118.9318534 +1 -132.8291018 +1     6     1     2
  C     1.41673582 +1   19.0040174 +1  -66.4733413 +1    13     2     1
  C     1.42006813 +1   86.6345680 +1  143.4512798 +1    17    13     2
  C     1.41449218 +1   96.9668453 +1   84.9803395 +1    13     2     1
  C     1.41317664 +1  123.3631898 +1  -88.2788653 +1    10     2     1
  H     0.98862944 +1   66.1502639 +1  170.6396002 +1    10     2     1
  H     1.03826417 +1  101.4741528 +1  107.9322283 +1     6     1     2
  H     1.02064211 +1  100.1294860 +1  -37.1793259 +1    11     1     2
  H     1.05572142 +1  100.8382570 +1 -102.5770502 +1     8     1     2
  H     1.02942108 +1  111.2447259 +1   -3.3716353 +1     6     1     2
  H     1.09485979 +1  120.1896012 +1  179.0789645 +1    20    19    18
  H     1.10010783 +1  111.2493804 +1   59.3600627 +1    22    21    20
  H     1.10060652 +1  111.1822097 +1  -60.1804020 +1    22    21    20
  H     1.09750584 +1  112.8136431 +1  179.6454827 +1    22    21    20
  H     1.09184758 +1  119.5070152 +1  179.3513802 +1    23    21    20
  H     1.11026903 +1  120.3327918 +1 -175.9943383 +1    25     5     1
  H     1.10948575 +1  113.3314624 +1 -161.2570428 +1    26     5     1
  H     1.12158615 +1  108.0549774 +1   81.0801821 +1    26     5     1
  H     1.10953865 +1  112.0443560 +1 -171.8590545 +1    27     8     1
  H     1.11105375 +1  108.8036867 +1   70.0900065 +1    27     8     1
  H     1.11280914 +1  108.2041013 +1  -58.3041485 +1    28     8     1
  H     1.10952452 +1  111.6632782 +1 -176.0789675 +1    28     8     1
  H     1.11324284 +1  110.0305031 +1  -82.1604985 +1    29    11     1
  H     1.11058042 +1  112.7223643 +1  159.0656262 +1    29    11     1
  H     1.11035424 +1  113.0254916 +1 -157.3176870 +1    30    11     1
  H     1.11333989 +1  109.6944338 +1   83.9229238 +1    30    11     1
  H     1.10806068 +1  111.7978878 +1  173.4920255 +1    31     6     1
  H     1.11894122 +1  107.4025921 +1   56.6060195 +1    31     6     1
  H     1.11204148 +1  111.3955332 +1   69.3751210 +1    32    13     2
  H     1.09575491 +1  111.0267561 +1   36.1587292 +1    33    17    13
  H     1.09352903 +1  110.7186651 +1  -87.4586775 +1    33    17    13
  H     1.09810516 +1  102.4578304 +1  154.0078933 +1    33    17    13
  H     1.09523130 +1  110.8418069 +1   51.1129941 +1    34    13     2
  H     1.09493646 +1  111.0914002 +1  -72.5213607 +1    34    13     2
  H     1.09852343 +1  102.6936301 +1  169.1846196 +1    34    13     2
  H     1.09508201 +1  107.2202884 +1  175.8737061 +1    35    10     2
  H     1.10011533 +1  106.1046940 +1   57.2085081 +1    35    10     2
  H     1.09315713 +1  111.6487640 +1  -63.0459929 +1    35    10     2