Accuracy

Pr_(SERWOB01) r   6581 Praseodymium complex, CCDC: SERWOB01 (Geo)

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    #  Species Formula
  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
  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


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: SERWOB01
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <> <> <> <> <> <> <Pr-O7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.58860047 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.59988375 +1  132.7747333 +1    0.0000000 +0     1     2     0
  O     2.60239981 +1   75.2024958 +1  101.2459710 +1     1     2     3
  O     2.14467511 +1  161.9549554 +1  119.7670969 +1     2     1     3
  O     2.13711393 +1  115.9697941 +1  -37.8814869 +1     3     1     2
  O     2.63781632 +1  119.5313177 +1  178.8164800 +1     1     2     3
  O     2.13581147 +1  108.3692970 +1  118.1757674 +1     7     1     2
  O     3.32753154 +1   66.2392667 +1  -76.8468362 +1     1     2     3
  O     3.49142138 +1   55.7225700 +1  161.6371942 +1     1     2     3
  O     3.43519920 +1   52.7877289 +1  -16.7282986 +1     1     2     3
  O     2.99187447 +1   64.9091451 +1   90.4051095 +1    11     1     2
  O     3.04022168 +1   65.5168760 +1   77.4807033 +1    10     1     2
  N     1.30950079 +1  139.6969569 +1  116.7322522 +1     7     1     2
  N     1.21694719 +1   32.2004052 +1  161.8640800 +1     5     2     1
  N     1.22723917 +1   33.6693593 +1  179.7069508 +1     6     3     1
  O     1.20564906 +1  118.0645071 +1 -176.3768859 +1    14     7     1
  O     1.22381124 +1  124.9903760 +1  179.8666537 +1    15     5     2
  O     1.20299409 +1  126.6736090 +1 -179.4199823 +1    16     6     3
  C     1.42269164 +1  104.3202973 +1 -115.1350938 +1    11     1     2
  C     1.43005279 +1  112.0824473 +1   45.2506714 +1     9     1     2
  C     1.41943195 +1  110.4225739 +1  -85.1956217 +1     9     1     2
  C     1.42960882 +1  127.1778834 +1  -87.2922555 +1    13    10     1
  C     1.43053227 +1   47.2523323 +1 -173.5437127 +1    13    10     1
  C     1.42611235 +1  100.6950482 +1  113.9387152 +1    10     1     2
  C     1.42005073 +1   87.7861639 +1 -129.8804501 +1    10     1     2
  C     1.46257544 +1  124.0396382 +1   54.5784340 +1     4     1     2
  C     1.44563450 +1  118.7821655 +1  -98.5074423 +1     4     1     2
  C     1.42497590 +1  129.5428523 +1  -77.9617789 +1    12    11     1
  C     1.43113697 +1   49.1452871 +1 -165.6682226 +1    12    11     1
  C     1.42303306 +1  106.1206650 +1  121.6408614 +1    11     1     2
  H     1.10318466 +1  109.8556140 +1 -171.9734159 +1    20    11     1
  H     1.10739389 +1  110.0222932 +1  -52.1546109 +1    20    11     1
  H     1.10135748 +1  108.8856344 +1  176.5285617 +1    21     9     1
  H     1.11282346 +1  108.7957746 +1  -63.2410121 +1    21     9     1
  H     1.10455178 +1  109.1942750 +1 -178.2877172 +1    22     9     1
  H     1.11013416 +1  102.1218976 +1  -63.5310859 +1    22     9     1
  H     1.10409386 +1  108.4006181 +1 -113.1928038 +1    23    13    10
  H     1.11205754 +1  109.0775734 +1    5.3637205 +1    23    13    10
  H     1.11138898 +1  110.3113083 +1   82.1245649 +1    24    13    10
  H     1.10390433 +1  107.1517683 +1 -158.3337880 +1    24    13    10
  H     1.10649749 +1  111.0081229 +1   40.7890409 +1    25    10     1
  H     1.10333555 +1  108.8821858 +1  160.6642190 +1    25    10     1
  H     1.10631798 +1  108.6938255 +1 -174.5218836 +1    26    10     1
  H     1.10878390 +1  111.7320785 +1  -55.7084928 +1    26    10     1
  H     1.10105807 +1  107.8566473 +1  164.0110735 +1    27     4     1
  H     1.11403687 +1  105.4990793 +1  -76.9885887 +1    27     4     1
  H     1.10344831 +1  109.3230709 +1 -166.9474679 +1    28     4     1
  H     1.10797578 +1  103.1603579 +1  -51.7140908 +1    28     4     1
  H     1.10505281 +1  107.9625550 +1 -131.0975827 +1    29    12    11
  H     1.11255428 +1  110.4986404 +1  -12.0450389 +1    29    12    11
  H     1.11113347 +1  110.2978457 +1   82.5517014 +1    30    12    11
  H     1.10287722 +1  107.3263302 +1 -157.6204780 +1    30    12    11
  H     1.10733388 +1  109.7682082 +1   47.9714231 +1    31    11     1
  H     1.10332044 +1  110.0894920 +1  167.9400884 +1    31    11     1