Accuracy

Pr_(RASROS) r   6587 Praseodymium complex, CCDC: RASROS (Geo)

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    #  Species Formula
  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
  6595 Praseodymium complex, CCDC: ZOSGUJ (Geo)C50H69N4O12Pr2
  6596 Praseodymium complex, CCDC: PEHHIP (Geo)C32H28N6O14Pr2
  6597 Praseodymium complex, CCDC: QOBBIS (Geo)C52H36N6O14Pr2


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: RASROS
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-O6> <> <> <> <> <> <Pr-O8> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.44720008 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.44776320 +1   89.4803817 +1    0.0000000 +0     1     2     0
  O     2.49320012 +1   57.6153886 +1  161.2598937 +1     1     2     3
  O     2.49390046 +1  153.6674677 +1  -41.8493878 +1     1     2     3
  O     2.54780000 +1  126.9492294 +1  140.4900664 +1     1     2     3
  O     2.15379644 +1  134.9486707 +1  -22.8760888 +1     6     1     2
  O     2.60982111 +1   77.5804731 +1 -108.1149580 +1     1     2     3
  O     4.48464745 +1   91.7824805 +1   50.7932956 +1     1     2     3
  O     2.15715723 +1  115.6606998 +1  -55.5451702 +1     8     1     2
  O     2.16358307 +1   61.6282462 +1 -176.8273226 +1     9     1     2
  N     1.29108654 +1  146.5276594 +1   22.0513042 +1     6     1     2
  N     1.27800157 +1  134.9532136 +1  -25.9424493 +1     8     1     2
  P     1.64813659 +1  168.7107233 +1    7.7322921 +1     4     1     2
  P     1.67589426 +1  168.0523774 +1 -161.5689563 +1     2     1     3
  N     1.20476552 +1   86.6616994 +1 -148.5180671 +1     9     1     2
  O     1.22221290 +1  117.5936219 +1   93.3809471 +1    12     6     1
  O     1.21758399 +1  119.2831226 +1  118.8506525 +1    13     8     1
  O     1.20049816 +1  130.9478717 +1  140.5240929 +1    16     9     1
  O     1.58670011 +1  113.2679870 +1  128.6378820 +1    14     4     1
  O     1.59522216 +1  111.6175155 +1   98.4478706 +1    15     2     1
  O     1.59001035 +1  113.1315897 +1 -142.2400813 +1    15     2     1
  C     2.01753792 +1  102.0258748 +1  -17.0094714 +1    15     2     1
  C     1.54834802 +1  112.3186780 +1  160.1628022 +1    23    15     2
  C     2.62392036 +1   94.9671908 +1 -127.1370299 +1    14     4     1
  C     1.45698279 +1  118.6961962 +1   -0.3348077 +1    20    14     4
  C     1.45078768 +1  119.0312658 +1   46.5523168 +1    21    15     2
  C     1.45075350 +1  120.4509931 +1   39.6748045 +1    22    15     2
  O     2.70461101 +1  134.9970685 +1   95.2915665 +1    11     9     1
  P     1.64843802 +1  176.1849359 +1   54.3915941 +1     5     1     2
  O     1.37096657 +1  103.9184507 +1  -86.4665733 +1    23    15     2
  C     2.63834830 +1   88.4185514 +1 -123.3491022 +1    30     5     1
  O     1.58854832 +1  109.9466102 +1  128.8524088 +1    30     5     1
  C     1.45347526 +1  119.8045178 +1   21.7905878 +1    33    30     5
  C     1.19646462 +1  136.2498231 +1  -85.1954139 +1    29    11     9
  O     1.44669144 +1   31.3220532 +1  145.4960438 +1    32    30     5
  P     1.74140485 +1  177.1690352 +1 -170.7540731 +1     3     1     2
  O     1.63672312 +1  102.9176846 +1   61.1493131 +1    37     3     1
  C     1.42703292 +1  126.1575888 +1   38.5135763 +1    38    37     3
  O     1.63047901 +1  103.4728888 +1  174.9882787 +1    37     3     1
  C     1.42944528 +1  125.3527675 +1  -35.9543900 +1    40    37     3
  C     1.48662580 +1  125.7600577 +1  126.7235132 +1    35    29    11
  O     1.45213699 +1   31.9169088 +1  134.4103095 +1    25    14     4
  H     1.02681600 +1  118.8577604 +1   70.4693289 +1    31    23    15
  H     1.10185398 +1  113.9489950 +1  -65.7863521 +1    24    23    15
  H     1.10547617 +1  110.8605319 +1  172.5351881 +1    24    23    15
  H     1.10451342 +1  111.4170547 +1   56.5608739 +1    24    23    15
  H     1.09868122 +1  100.2183062 +1 -107.5574631 +1    25    14     4
  H     1.10471550 +1  129.2825322 +1  124.8027835 +1    25    14     4
  H     1.10497078 +1   95.3140845 +1    3.5072790 +1    25    14     4
  H     1.10269651 +1  114.2525724 +1  -63.3987754 +1    26    20    14
  H     1.10550109 +1   96.8281645 +1 -179.4222980 +1    26    20    14
  H     1.10293634 +1  114.1119147 +1   64.5175323 +1    26    20    14
  H     1.10618914 +1   98.0013070 +1 -162.5909803 +1    27    21    15
  H     1.09815143 +1  111.4043717 +1   81.4030821 +1    27    21    15
  H     1.10386859 +1  116.4655529 +1  -46.3286395 +1    27    21    15
  H     1.10559897 +1   97.6484807 +1 -173.3595731 +1    28    22    15
  H     1.10148578 +1  112.9224441 +1   70.8156830 +1    28    22    15
  H     1.10131474 +1  115.2156991 +1  -56.8790438 +1    28    22    15
  H     1.09792676 +1   99.1402999 +1  -94.0320207 +1    32    30     5
  H     1.10553240 +1  129.5028576 +1  140.2976594 +1    32    30     5
  H     1.10238720 +1   96.3437023 +1   17.9834669 +1    32    30     5
  H     1.10706825 +1  116.2262276 +1  -48.9216248 +1    34    33    30
  H     1.10541289 +1   97.7098162 +1 -165.2182338 +1    34    33    30
  H     1.09710758 +1  111.7539113 +1   78.6330949 +1    34    33    30
  H     1.71353465 +1    3.3895507 +1  136.8506013 +1    29    11     9
  H     1.10220052 +1  100.7549335 +1 -169.3116471 +1    39    38    37
  H     1.09735225 +1  111.6483571 +1   74.1251160 +1    39    38    37
  H     1.09755993 +1  114.5005207 +1  -51.6804155 +1    39    38    37
  H     1.09764501 +1  109.8809996 +1  -87.6887562 +1    41    40    37
  H     1.10244061 +1  100.7502287 +1  155.9141345 +1    41    40    37
  H     1.09748651 +1  115.8254249 +1   37.8120737 +1    41    40    37
  H     1.10129614 +1  114.2423282 +1  121.7724084 +1    42    35    29
  H     1.10975727 +1  109.8361249 +1   -0.3122487 +1    42    35    29
  H     1.11541809 +1  111.8852036 +1 -116.3915784 +1    42    35    29