Accuracy

Pr_(LEJSOI) r   6584 Praseodymium complex, CCDC: LEJSOI (Geo)

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    #  Species Formula
  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
  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


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=1.0
Praseodymium complex, CCDC: LEJSOI
 <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     2.40040000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.41739989 +1  144.2308865 +1    0.0000000 +0     1     2     0
  O     2.47540028 +1  118.1978325 +1  127.2318292 +1     1     2     3
  O     2.48560014 +1  120.4052421 +1 -134.0420276 +1     1     2     3
  O     2.50429971 +1   84.1158048 +1   74.0596727 +1     1     2     3
  O     2.52990005 +1   89.6035996 +1  -78.1317439 +1     1     2     3
  O     3.37753042 +1   62.6447158 +1  177.8623566 +1     1     2     3
  O     3.24159185 +1   72.3211729 +1   11.1307068 +1     1     2     3
  C     1.25615888 +1  176.2963315 +1   70.0773693 +1     2     1     3
  C     1.43165821 +1  123.0895942 +1   32.2557994 +1    10     2     1
  C     1.39811276 +1  120.2488295 +1  176.7719701 +1    11    10     2
  C     1.39348015 +1  120.0136651 +1   -1.0693511 +1    12    11    10
  C     1.40235044 +1  121.6445575 +1    1.8114077 +1    13    12    11
  C     1.38469480 +1  118.8956795 +1    0.1450917 +1    14    13    12
  O     2.29920956 +1   93.7343200 +1    1.1020286 +1    11    10     2
  O     2.74505255 +1   98.7279401 +1   64.2580490 +1     3     1     2
  N     1.23364530 +1   33.0763486 +1 -171.5659776 +1    16    11    10
  N     1.45917474 +1  119.3719373 +1 -178.3141234 +1    13    12    11
  O     1.21565675 +1  117.3855901 +1    0.0447726 +1    19    13    12
  O     1.21608815 +1  117.2376535 +1  179.6949221 +1    19    13    12
  N     1.23387485 +1   78.0242575 +1  138.3130057 +1    17     3     1
  O     2.81558598 +1  100.5490906 +1  -73.2302931 +1     3     1     2
  O     2.29339326 +1  136.2053779 +1  148.3310942 +1    15    14    13
  C     1.26152865 +1  179.9967526 +1  153.3139730 +1     3     1     2
  C     1.43021273 +1  121.0768347 +1  108.9761041 +1    25     3     1
  C     1.38579797 +1  121.3615636 +1 -173.2487789 +1    26    25     3
  C     1.40122578 +1  118.8149394 +1   -0.9109977 +1    27    26    25
  C     1.39846651 +1  122.0130869 +1   -0.3808341 +1    28    27    26
  C     1.38987908 +1  119.1043639 +1   -0.0385056 +1    29    28    27
  N     1.23279635 +1   73.7877326 +1 -132.6176726 +1    23     3     1
  O     1.21258466 +1  121.8928133 +1 -179.1761573 +1    18    16    11
  O     1.21085798 +1  122.9622846 +1 -137.6777744 +1    22    17     3
  N     1.45998818 +1  118.9427044 +1  179.9280282 +1    28    27    26
  O     1.21583425 +1  117.2896221 +1  178.6818038 +1    34    28    27
  O     1.21583322 +1  117.3385854 +1   -1.4892853 +1    34    28    27
  N     1.23483220 +1   33.6654452 +1   65.3500992 +1    24    15    14
  O     1.21107382 +1  123.2999175 +1  129.7032209 +1    31    23     3
  O     1.21035247 +1  122.7392913 +1 -179.1199600 +1    37    24    15
  H     0.99333973 +1  117.1794086 +1  -47.3875982 +1     4     1     2
  H     0.97607285 +1  136.3312694 +1  155.1489571 +1     4     1     2
  H     0.99824827 +1  118.8546247 +1  -11.2778204 +1     6     1     2
  H     0.99590048 +1  117.1216806 +1 -139.7828196 +1     6     1     2
  H     0.96022285 +1  112.4703275 +1   26.8371678 +1     8     1     2
  H     0.95953105 +1  141.3900641 +1 -155.0278671 +1     8     1     2
  H     0.98335002 +1  127.5648528 +1   -9.7683349 +1     7     1     2
  H     0.99800838 +1  119.2456193 +1  140.6243230 +1     7     1     2
  H     0.96210582 +1  129.2923221 +1   39.4519710 +1     9     1     2
  H     0.96073940 +1  118.0185546 +1 -172.4392994 +1     9     1     2
  H     0.99207748 +1  117.4343510 +1   51.7191559 +1     5     1     2
  H     0.97532119 +1  137.8474406 +1 -142.1064489 +1     5     1     2
  H     1.11156485 +1  120.1081867 +1  179.1399293 +1    12    11    10
  H     1.10812111 +1  120.0812122 +1  179.7494843 +1    14    13    12
  H     1.10695255 +1  121.1067228 +1  179.2408741 +1    27    26    25
  H     1.10781996 +1  120.2221310 +1 -179.7500173 +1    29    28    27