Accuracy

Pr_(EFUJEU) r   6593 Praseodymium complex, CCDC: EFUJEU (Geo)

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    #  Species Formula
  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
  6602 Praseodymium complex, CCDC: XIZRAZ (Geo)C20H32N8O20Pr2
  6603 Praseodymium complex, CCDC: PAJJIT (Geo)C24H30N4O6F36Pr2


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: EFUJEU
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-N5> <> <> <Pr-N6> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.39913366 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.43661008 +1  106.3407744 +1    0.0000000 +0     1     2     0
  O     2.44077970 +1  102.0486832 +1  178.5268416 +1     1     2     3
  N     2.60039314 +1   82.9787439 +1 -106.1283781 +1     1     2     3
  N     2.61264642 +1   83.6129352 +1   83.3716941 +1     1     2     3
  N     2.40718475 +1   89.7813389 +1  169.3337124 +1     5     1     2
  N     2.42651232 +1   94.5149623 +1  134.1151286 +1     6     1     2
  N     2.38008031 +1   60.2816758 +1   89.7153753 +1     8     6     1
  N     2.38708743 +1   90.1289893 +1  108.9366097 +1     5     1     2
  C     1.48191021 +1   92.4806641 +1  108.0754396 +1     8     6     1
  C     1.47460679 +1  147.6833191 +1  157.4035210 +1     9     8     6
  C     1.52600806 +1  111.6673295 +1 -136.0002778 +1     6     1     2
  C     1.50492631 +1  112.9584112 +1  -16.8546325 +1     6     1     2
  C     1.52415016 +1  114.1878076 +1  103.5659917 +1     6     1     2
  C     1.47476764 +1  147.2373456 +1 -113.6387250 +1     8     6     1
  C     1.52243416 +1  113.1797317 +1   79.7611036 +1     5     1     2
  C     1.47416513 +1  149.0929436 +1 -113.8003566 +1    10     5     1
  C     1.49064881 +1   91.8998084 +1 -105.8950546 +1     7     5     1
  C     1.47618575 +1  147.9245174 +1  119.1685012 +1     7     5     1
  C     1.52313944 +1  111.9765628 +1 -161.3743884 +1     5     1     2
  C     1.50398482 +1  113.6067963 +1  -41.6940279 +1     5     1     2
  S     1.53288848 +1  179.9972633 +1  -42.7190209 +1     4     1     2
  O     1.43805336 +1  113.7265959 +1  -26.6814347 +1    23     4     1
  O     2.46276074 +1  147.6025567 +1 -104.5183755 +1     2     1     3
  C     1.90551648 +1   96.3186679 +1 -137.3038950 +1    23     4     1
  F     1.33202713 +1  114.2365992 +1 -115.2058538 +1    26    23     4
  F     1.33507891 +1  113.4373219 +1    3.5849676 +1    26    23     4
  F     1.32965110 +1  115.5078358 +1  124.0398107 +1    26    23     4
  S     1.43820691 +1   35.6680988 +1 -172.2315694 +1    25     2     1
  O     2.45507979 +1  149.5833581 +1  110.6832967 +1     3     1     2
  O     2.49702434 +1  145.8225943 +1 -106.1965971 +1     3     1     2
  C     1.89221144 +1  106.7996185 +1 -103.3106375 +1    30    25     2
  F     1.32884868 +1  115.6462488 +1  -60.2151638 +1    33    30    25
  F     1.33307945 +1  113.0139854 +1  179.1618846 +1    33    30    25
  F     1.33110867 +1  113.3259307 +1   60.8353895 +1    33    30    25
  S     1.43876944 +1   34.0681468 +1  177.2070456 +1    32     3     1
  O     1.43946202 +1  122.2072079 +1  134.8213010 +1    30    25     2
  O     1.44143478 +1  110.5776760 +1  114.7311795 +1    23     4     1
  C     1.89803703 +1  106.2386796 +1 -103.9662876 +1    37    32     3
  F     1.33342387 +1  112.6829912 +1  173.3421121 +1    40    37    32
  F     1.33137016 +1  114.1457389 +1   54.9090326 +1    40    37    32
  F     1.32905845 +1  115.5241814 +1  -66.4988168 +1    40    37    32
  H     1.12021967 +1  107.4650379 +1 -142.7037267 +1    11     8     6
  H     1.11492570 +1  113.2341635 +1   97.7361532 +1    11     8     6
  H     1.10244628 +1  109.0761215 +1   57.0418579 +1    12     9     8
  H     1.09902923 +1  114.6341595 +1  -65.1707155 +1    12     9     8
  H     1.11539226 +1  109.3846061 +1  173.4088252 +1    12     9     8
  H     1.11164169 +1  111.1547291 +1  174.1444161 +1    13     6     1
  H     1.12257373 +1  108.4777088 +1   55.7207102 +1    13     6     1
  H     1.10889044 +1  110.2332582 +1   58.2961315 +1    14     6     1
  H     1.10370217 +1  110.1909524 +1  -60.4927027 +1    14     6     1
  H     1.09847473 +1  114.0328880 +1  178.8605888 +1    14     6     1
  H     1.12026536 +1  108.0649550 +1  -55.9060178 +1    15     6     1
  H     1.11320269 +1  110.9342299 +1 -173.9398017 +1    15     6     1
  H     1.11149897 +1  109.8451835 +1   46.1248958 +1    16     8     6
  H     1.09887992 +1  114.5766453 +1  -76.5635952 +1    16     8     6
  H     1.10441930 +1  108.8594295 +1  161.9241129 +1    16     8     6
  H     1.11846484 +1  108.6839496 +1  -61.9863125 +1    17     5     1
  H     1.11172717 +1  111.4681608 +1  179.7060938 +1    17     5     1
  H     1.10409915 +1  109.8902386 +1   41.9510545 +1    18    10     5
  H     1.09811475 +1  114.7281311 +1  -80.7426005 +1    18    10     5
  H     1.11482026 +1  108.1658515 +1  157.2363539 +1    18    10     5
  H     1.11439004 +1  112.4943152 +1 -102.0416084 +1    19     7     5
  H     1.12330581 +1  107.2950338 +1  138.5631776 +1    19     7     5
  H     1.10526522 +1  109.7416021 +1  -49.2384144 +1    20     7     5
  H     1.10503618 +1  108.8082776 +1 -165.7237392 +1    20     7     5
  H     1.10074326 +1  114.5534821 +1   72.6532655 +1    20     7     5
  H     1.11223878 +1  111.3784059 +1  179.4772430 +1    21     5     1
  H     1.12091391 +1  108.5032950 +1   61.6046224 +1    21     5     1
  H     1.10796207 +1  109.7074256 +1  -57.8465299 +1    22     5     1
  H     1.09787525 +1  113.9355772 +1 -177.8219740 +1    22     5     1
  H     1.10848479 +1  110.4568026 +1   61.4847845 +1    22     5     1