Accuracy

Pr_(BUVWIY01) r   6565 Praseodymium complex, CCDC: BUVWIY01 (Geo)

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    #  Species Formula
  6555 Praseodymium complex, CCDC: KOBRUO (Geo)C64H32N16Pr
  6556 Praseodymium complex, CCDC: RUGNOW (Geo)C27H30B3N18Pr
  6557 Praseodymium complex, CCDC: MIPTEK (Geo)C27H27N4O3Pr
  6558 Praseodymium complex, CCDC: POGWIR (Geo)C44H67O5Pr
  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


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=3.0
Praseodymium complex, CCDC: BUVWIY01
 <Pr-O2> <Pr-O2> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-O5> <> <> <Pr-O6> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.46929837 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.46930000 +1   87.5291169 +1    0.0000000 +0     1     2     0
  O     2.46980006 +1   88.9654965 +1  -84.6334413 +1     1     2     3
  O     2.46999997 +1  175.9905326 +1   43.5602953 +1     1     2     3
  O     2.47000017 +1   84.5764963 +1   91.4862936 +1     1     2     3
  O     2.47050063 +1   89.6213750 +1 -171.2316165 +1     1     2     3
  O     4.46131769 +1   84.0209315 +1   64.5886054 +1     1     2     3
  O     4.46148399 +1   62.9485131 +1 -173.6166664 +1     1     2     3
  O     4.45032255 +1  155.8177696 +1  -87.6730754 +1     1     2     3
  H     0.98073383 +1  128.4337813 +1   17.4212662 +1     8     1     2
  H     0.99906342 +1  128.1170971 +1  -84.5201246 +1     2     1     3
  H     1.00043741 +1  131.6802182 +1  101.5540013 +1     2     1     3
  H     0.98030325 +1  123.3855936 +1  172.6300634 +1     8     1     2
  H     0.98086702 +1  128.0553857 +1  101.6955364 +1     9     1     2
  H     0.98059448 +1  123.6321720 +1 -103.4469258 +1     9     1     2
  H     0.98054098 +1  126.8890475 +1   96.9945529 +1    10     1     2
  H     0.98050540 +1  124.9854302 +1 -107.4372639 +1    10     1     2
  H     1.00021897 +1  129.1658618 +1  -92.3956844 +1     4     1     2
  H     1.00031951 +1  130.8595608 +1   92.1649347 +1     4     1     2
  H     1.00062024 +1  129.0861782 +1  174.7778923 +1     3     1     2
  H     1.00102756 +1  131.0644400 +1    0.3975849 +1     3     1     2
  H     1.10353244 +1  129.3712554 +1  -87.6740876 +1     6     1     2
  H     0.97643245 +1  131.3420576 +1   95.3951552 +1     6     1     2
  H     1.10534628 +1  129.3316192 +1   -4.9157422 +1     7     1     2
  H     0.97569958 +1  131.2984868 +1  179.0565692 +1     7     1     2
  H     1.10456419 +1  129.0834240 +1 -137.1098520 +1     5     1     2
  H     0.97605873 +1  131.4966212 +1   46.5086835 +1     5     1     2