Accuracy

Nd_(WIPLUC) r   6676 Neodymium complex, CCDC: WIPLUC (Geo)

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    #  Species Formula
  6666 Neodymium complex, CCDC: MOCFAL (Geo)C29H32NOS2Nd
  6667 Neodymium complex, CCDC: QOZWAD (Geo)C14H26O13F6S2Nd
  6668 Neodymium complex, CCDC: MINLIE (Geo)C74H60O10F6P4S2Nd
  6669 Neodymium complex, CCDC: FAHFID (Geo)C48H40N3O13S4Nd
  6670 Neodymium complex, CCDC: ELENOY (Geo)C34H58ClNd
  6671 Neodymium complex, CCDC: WAGWIK (Geo)C18H28N2ClNd
  6672 Neodymium complex, CCDC: NUFPUZ (Geo)C26H28O2ClNd
  6673 Neodymium complex, CCDC: AGUVIH (Geo)C28H30O2ClNd
  6674 Neodymium complex, CCDC: BOKPEW (Geo)C22H42Si4Cl2Nd
  6675 Neodymium complex, CCDC: YODYEV (Geo)C30H16N4O6Cl9Nd
  6676 Neodymium complex, CCDC: WIPLUC (Geo) C23H33NSiINd
  6677 Neodymium complex, CCDC: TAZJEJ (Geo)C52H62Nd2
  6678 Neodymium complex, CCDC: PAPMIC (Geo)C36H54O2Nd2
  6679 Neodymium complex, CCDC: JIRHAT (Geo)C38H58N12O2Nd2
  6680 Neodymium complex, CCDC: GUQFIH (Geo)C28H42O4Nd2
  6681 Neodymium complex, CCDC: NIKLEY (Geo)C46H46O4Nd2
  6682 Neodymium complex, CCDC: XIFMAA (Geo)C48H36N6O14Nd2
  6683 Neodymium complex, CCDC: QQQCGM01 (Geo)C36H32N6O16Nd2
  6684 Neodymium complex, CCDC: MOCDOX (Geo)C44H54O2S2Nd2
  6685 Neodymium complex, CCDC: SUQSEC (Geo)C28H52O4Cl2Nd2
  6686 Samarium complex, CCDC: NUQYUT (Geo)C30H48N6Sm


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
Neodymium complex, CCDC: WIPLUC
 <Nd-N2> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.56721275 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     4.63099117 +1   49.6005164 +1    0.0000000 +0     1     2     0
  C     4.14850925 +1   89.0214538 +1  -98.7913115 +1     1     2     3
  C     1.47086747 +1   79.2820746 +1 -101.9619908 +1     4     1     2
  C     1.35736580 +1  108.9048807 +1  -24.6160235 +1     5     4     1
  C     1.50060678 +1  110.6858024 +1    0.3814878 +1     6     5     4
  C     1.50650606 +1  101.5183363 +1   -1.0083168 +1     7     6     5
  C     3.46892406 +1  117.6579746 +1  119.2888872 +1     1     2     3
  C     1.41372739 +1   83.2157328 +1   -5.1728209 +1     9     1     2
  C     1.41655942 +1  108.0462764 +1  -72.9280612 +1    10     9     1
  C     1.41393079 +1  108.0490074 +1    0.4564666 +1    11    10     9
  C     1.41867760 +1   75.3785318 +1 -115.8182414 +1     9     1     2
 Si     1.82591150 +1  147.3766003 +1   37.7874213 +1     4     1     2
  C     1.47748857 +1  111.2547099 +1  120.8473200 +1     9     1     2
  C     1.47740899 +1  126.1778073 +1  109.9878324 +1    10     9     1
  C     1.47684140 +1  126.0936369 +1 -174.9491502 +1    11    10     9
  C     1.47653100 +1  125.5981466 +1 -177.0986726 +1    12    11    10
  C     1.47767037 +1  125.7977379 +1 -107.8942668 +1    13     9     1
  C     1.37389314 +1  120.8934257 +1   85.9782401 +1     2     1     3
  C     1.38874921 +1  123.6938225 +1 -166.5993101 +1    20     2     1
  C     1.39706717 +1  119.1718086 +1    0.4424846 +1    21    20     2
  C     1.39442070 +1  118.5180570 +1   -2.4293500 +1    22    21    20
  C     1.37165220 +1  122.2788529 +1  -81.1496279 +1     2     1     3
  C     1.86643575 +1  109.3592727 +1 -178.8307303 +1    14     4     1
  C     1.86667378 +1  110.1881138 +1   60.7140765 +1    14     4     1
  C     1.87085579 +1  108.8111291 +1  -58.8429907 +1    14     4     1
  H     1.07642742 +1  124.8228552 +1  156.4087328 +1     5     4     1
  H     1.07034077 +1  126.4508956 +1 -174.9583309 +1     6     5     4
  H     1.09999976 +1  107.2472484 +1 -113.1767375 +1     7     6     5
  H     1.07542341 +1  120.9109461 +1 -175.2682898 +1     8     7     6
  H     1.09584555 +1  113.1319480 +1   63.1323200 +1    15     9     1
  H     1.09523379 +1  113.2618593 +1  -61.4605549 +1    15     9     1
  H     1.10567124 +1  109.2631251 +1 -179.3411387 +1    15     9     1
  H     1.09540289 +1  113.0410924 +1 -145.0462834 +1    16    10     9
  H     1.10496670 +1  109.5063282 +1   96.8070669 +1    16    10     9
  H     1.09586718 +1  112.9243729 +1  -21.0373779 +1    16    10     9
  H     1.09551396 +1  113.1202752 +1  -26.8410462 +1    17    11    10
  H     1.09788295 +1  113.0529766 +1 -152.0619910 +1    17    11    10
  H     1.10613687 +1  109.2552654 +1   90.6016075 +1    17    11    10
  H     1.09517570 +1  113.4287328 +1 -160.3184260 +1    18    12    11
  H     1.10542877 +1  109.4721465 +1   81.8656430 +1    18    12    11
  H     1.09811833 +1  113.1999487 +1  -35.6743773 +1    18    12    11
  H     1.09488118 +1  113.4168847 +1   33.2078799 +1    19    13     9
  H     1.10635442 +1  109.1062718 +1  -84.1729745 +1    19    13     9
  H     1.09544634 +1  113.3039908 +1  158.5989079 +1    19    13     9
  H     1.09838915 +1  116.2932150 +1   12.4647639 +1    20     2     1
  H     1.09193400 +1  120.2831174 +1  177.7419379 +1    21    20     2
  H     1.09480684 +1  120.6852879 +1  176.6237223 +1    22    21    20
  H     1.09281608 +1  120.5716580 +1  179.4967812 +1    23    22    21
  H     1.10232042 +1  116.4204280 +1  -12.3940673 +1    24     2     1
  H     1.10458418 +1  111.4587126 +1   61.0378345 +1    25    14     4
  H     1.10602271 +1  111.0170131 +1  -58.6996074 +1    25    14     4
  H     1.10594460 +1  111.4501752 +1 -178.5914708 +1    25    14     4
  H     1.10522058 +1  111.2374491 +1   59.9265987 +1    26    14     4
  H     1.10589648 +1  111.5315209 +1  -60.1473660 +1    26    14     4
  H     1.10650573 +1  111.4282540 +1  179.8347575 +1    26    14     4
  H     1.10374865 +1  111.3366689 +1  -56.0491915 +1    27    14     4
  H     1.10652664 +1  111.0390773 +1 -175.9022648 +1    27    14     4
  H     1.10345841 +1  111.3549807 +1   64.4541010 +1    27    14     4