Accuracy

Pr_(XIZRAZ) r   6602 Praseodymium complex, CCDC: XIZRAZ (Geo)

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    #  Species Formula
  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
  6604 Praseodymium complex, CCDC: BABZOT (Geo)C42H34O20Cl12Pr2
  6605 Neodymium complex, CCDC: QEBJIQ (Geo)C25H37Nd
  6606 Neodymium complex, CCDC: FIMFEM (Geo)C20H20NNd
  6607 Neodymium complex, CCDC: BILSIY (Geo)C14H39N9Nd
  6608 Neodymium complex, CCDC: XONYII (Geo)C45H33N9Nd
  6609 Neodymium complex, CCDC: LUDQIK (Geo)C30H42N11Nd
  6610 Neodymium complex, CCDC: NAVCIW (Geo)C34H50B2N14Nd
  6611 Neodymium complex, CCDC: MEDMIR (Geo)C20H27O2Nd
  6612 Neodymium complex, CCDC: WEFPUS (Geo)C38H61O2Nd


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: XIZRAZ
 <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     2.38780047 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.42970642 +1   81.8091854 +1    0.0000000 +0     1     2     0
  O     2.44140000 +1  140.8532238 +1   35.3527473 +1     1     2     3
  O     2.46709998 +1   88.7813856 +1 -177.9286743 +1     1     2     3
  O     2.52859564 +1  105.9318731 +1 -113.1492702 +1     1     2     3
  O     2.54079981 +1   89.9195008 +1  102.2303736 +1     1     2     3
  O     4.37754134 +1   82.6944154 +1  149.1489558 +1     1     2     3
 Pr     3.58509862 +1  110.7025911 +1   28.0209511 +1     3     1     2
  O     2.15001419 +1  120.8609140 +1  -83.1969594 +1     6     1     2
  O     2.16290777 +1   78.2358277 +1  -60.4134393 +1     8     1     2
  N     1.29663369 +1  151.5155522 +1  -74.3346635 +1     6     1     2
  N     1.28610008 +1   30.3905199 +1  121.5093065 +1    11     8     1
  O     3.65772912 +1   53.3825875 +1   94.1119335 +1     9     3     1
  O     1.20435765 +1  118.8334166 +1  163.6910317 +1    12     6     1
  O     1.35624968 +1  102.0222540 +1 -158.1223900 +1     9     3     1
  O     4.38469597 +1   85.0354621 +1  149.7359626 +1     9     3     1
  O     3.42923967 +1  102.2229790 +1   82.1675567 +1     9     3     1
  O     1.21956270 +1  117.5453402 +1 -178.0141003 +1    13    11     8
  O     2.29898904 +1   97.2199367 +1    5.4552758 +1     9     3     1
  N     2.25172060 +1  154.3309431 +1   27.9523598 +1     4     1     2
  O     2.53126270 +1  141.8215078 +1  -54.4039897 +1    16     9     3
  N     2.95563167 +1  136.1405745 +1  -90.6089342 +1    14     9     3
  N     1.25179107 +1  118.4498136 +1  127.3207096 +1    14     9     3
  C     1.48231527 +1  102.6894928 +1  -81.6443757 +1    23    14     9
  C     1.48370887 +1  114.0416949 +1  157.6536146 +1    23    14     9
  C     1.47234018 +1   91.1445484 +1   92.5194635 +1    21     4     1
  C     1.25898303 +1  138.0448731 +1  -24.3516942 +1     4     1     2
  C     1.46062989 +1  120.8524274 +1  -41.5285233 +1    28     4     1
  C     1.28971732 +1  144.2328212 +1  176.3423421 +1     2     1     3
  C     1.41932194 +1  120.0489463 +1  -69.0359173 +1    30     2     1
  C     1.37637172 +1  119.5263091 +1  174.6993791 +1    31    30     2
  C     1.40875300 +1  120.8346401 +1    0.3655746 +1    32    31    30
  C     1.39992997 +1  121.6924535 +1 -147.1241069 +1    29    28     4
  C     1.54311196 +1  109.8938036 +1   93.2760239 +1    25    23    14
  N     1.48727661 +1  110.1318085 +1  -69.2434148 +1    35    25    23
  C     1.48631872 +1  109.6644953 +1 -169.0397791 +1    36    35    25
  C     1.53911580 +1  109.3933532 +1 -179.1844331 +1    37    36    35
  N     1.47173832 +1  111.6321560 +1   88.2477497 +1    38    37    36
  C     1.27512443 +1  157.8274822 +1  -18.8478534 +1    20     9     3
  O     1.25907431 +1  117.7255740 +1   24.4455030 +1    24    14     9
  N     2.23877453 +1  168.0562328 +1  -45.4955806 +1    16     9     3
  O     1.13898244 +1   93.7489125 +1  167.7536379 +1    42    16     9
  O     1.22892622 +1  121.6059954 +1 -159.5124735 +1    24    14     9
  C     1.40979618 +1  120.1660907 +1  108.1636049 +1    30     2     1
  C     1.40464618 +1  119.3558546 +1 -173.7077569 +1    45    30     2
  C     1.28755172 +1  139.0171421 +1 -175.7919545 +1     3     1     2
  C     1.38506131 +1  120.7987915 +1  179.6093279 +1    34    29    28
  C     1.40449860 +1  119.9072936 +1   -0.8585739 +1    48    34    29
  C     1.42033472 +1  119.2918198 +1  143.5069878 +1    47     3     1
  H     1.11359702 +1  111.5215504 +1  -28.5052995 +1    25    23    14
  H     1.11262936 +1  110.5474500 +1 -147.3228703 +1    25    23    14
  H     1.11189942 +1  112.5359648 +1   61.3470449 +1    26    23    14
  H     1.11381752 +1  108.0316559 +1  179.9793432 +1    26    23    14
  H     1.11477198 +1  107.7431748 +1  119.8262461 +1    27    21     4
  H     1.11796289 +1  110.5237672 +1    3.3504110 +1    27    21     4
  H     1.08522975 +1  118.7281975 +1   -4.6624938 +1    31    30     2
  H     1.09211487 +1  120.2818390 +1 -179.0098238 +1    32    31    30
  H     1.08681351 +1  119.5663864 +1 -178.5454075 +1    33    32    31
  H     1.09344509 +1  119.6904757 +1    0.1900661 +1    34    29    28
  H     1.02401837 +1    7.2857378 +1  108.7572974 +1    23    14     9
  H     1.02523175 +1  143.6220660 +1  -46.9583944 +1    21     4     1
  H     0.98720949 +1  131.6589229 +1  -72.7514691 +1     5     1     2
  H     1.00596436 +1  118.1138241 +1  109.4767497 +1     5     1     2
  H     0.97902801 +1  128.6137842 +1 -138.8055703 +1     7     1     2
  H     1.05219830 +1  125.1376336 +1   51.0548857 +1     7     1     2
  H     0.97689734 +1   61.2483632 +1  -74.2434906 +1    17     9     3
  H     0.95268108 +1  165.3613141 +1  -77.8721168 +1    17     9     3
  H     0.96971205 +1  113.6589480 +1  -51.6934266 +1    18     9     3
  H     0.96498151 +1   91.7035462 +1   55.7176045 +1    18     9     3
  H     1.09175969 +1  119.2729552 +1  177.6738743 +1    46    45    30
  H     1.08117194 +1  118.2341470 +1   -4.0527632 +1    50    47     3
  H     1.08981224 +1  118.8873946 +1 -177.8533988 +1    49    48    34
  H     1.08604327 +1  120.3626220 +1 -179.7084196 +1    48    34    29
  H     1.04183892 +1  116.1452298 +1   33.4793061 +1    39    38    37
  H     1.11729885 +1  109.8624563 +1 -153.2019932 +1    38    37    36
  H     1.11547034 +1  110.6943196 +1  -36.1616652 +1    38    37    36
  H     1.11622826 +1  112.7260993 +1  -55.6315214 +1    37    36    35
  H     1.11414427 +1  107.7777772 +1   62.2660656 +1    37    36    35
  H     1.02290952 +1  108.9194670 +1   70.7541350 +1    36    35    25
  H     1.11384990 +1  109.7157505 +1   54.1677030 +1    35    25    23
  H     1.11269945 +1  108.6220081 +1  171.4891829 +1    35    25    23