Accuracy

Nd_(FIMFEM) r   6606 Neodymium complex, CCDC: FIMFEM (Geo)

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    #  Species Formula
  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
  6613 Neodymium complex, CCDC: VIVBOR (Geo)C36H39O3Nd
  6614 Neodymium complex, CCDC: MIPTIO (Geo)C27H27N4O3Nd
  6615 Neodymium complex, CCDC: WEFVUY (Geo)C57H57N6O3Nd
  6616 Neodymium complex, CCDC: QAYWOC (Geo)C49H77O4Nd


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: FIMFEM
 <Nd-N2> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.58217186 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     3.35053154 +1   80.3605994 +1    0.0000000 +0     1     2     0
  C     1.36315309 +1  124.7065964 +1   46.2278079 +1     3     1     2
  C     1.45606610 +1  108.3558909 +1   47.6026507 +1     4     3     1
  C     1.36345919 +1  108.4014766 +1   -0.2201440 +1     5     4     3
  C     1.48091204 +1   42.5543797 +1  128.5765789 +1     3     1     2
  C     2.38210237 +1  110.3228135 +1  148.2315278 +1     1     2     3
  C     1.48990460 +1  114.1975245 +1 -131.1580094 +1     8     1     2
  C     1.36033637 +1  110.2651396 +1 -122.0601265 +1     9     8     1
  C     1.45828015 +1  108.5218742 +1   -1.2761198 +1    10     9     8
  C     1.36018610 +1  108.4887574 +1   -0.1123915 +1    11    10     9
  C     3.81402184 +1   71.7911593 +1 -118.7078046 +1     1     2     3
  C     1.41550972 +1   79.3093151 +1   62.2836014 +1    13     1     2
  C     1.40677575 +1  108.0829520 +1   65.5975882 +1    14    13     1
  C     1.41606037 +1  108.0872414 +1   -0.4548771 +1    15    14    13
  C     1.40809568 +1   71.0930310 +1  175.5774377 +1    13     1     2
  C     1.36737964 +1  122.6231703 +1  140.6657870 +1     2     1     3
  C     1.39323724 +1  123.3259194 +1 -173.7782433 +1    18     2     1
  C     1.39294705 +1  119.1794605 +1    0.3696312 +1    19    18     2
  C     1.39544372 +1  118.6332988 +1   -0.5083853 +1    20    19    18
  C     1.36870829 +1  120.7633082 +1  -32.7850159 +1     2     1     3
  H     1.10677565 +1  116.5066159 +1    4.6725533 +1    18     2     1
  H     1.09180017 +1  119.9797009 +1  179.4795884 +1    19    18     2
  H     1.09328599 +1  120.7693696 +1  179.2113786 +1    20    19    18
  H     1.09094683 +1  120.7360586 +1  179.7533649 +1    21    20    19
  H     1.10786595 +1  116.3393109 +1   -5.1920498 +1    22     2     1
  H     1.07130565 +1   97.8457631 +1  -99.5883993 +1     3     1     2
  H     1.06973793 +1  128.0099667 +1 -134.5025903 +1     4     3     1
  H     1.06966473 +1  123.5031568 +1  177.6046172 +1     5     4     3
  H     1.07001641 +1  126.6547653 +1  175.6482919 +1     6     5     4
  H     1.08621038 +1  112.0756403 +1  117.0947249 +1     7     3     1
  H     1.08962012 +1  105.3156638 +1   -9.9400255 +1     8     1     2
  H     1.06950820 +1  122.8956155 +1   60.6173571 +1     9     8     1
  H     1.07048518 +1  128.0940258 +1 -179.9072432 +1    10     9     8
  H     1.07068080 +1  123.3973566 +1 -178.9564086 +1    11    10     9
  H     1.07141076 +1  126.7486987 +1 -176.6029465 +1    12    11    10
  H     1.06397672 +1  119.8337559 +1  -63.3525284 +1    13     1     2
  H     1.06383613 +1  125.9722518 +1 -118.4147171 +1    14    13     1
  H     1.06450345 +1  125.8467877 +1  175.2018586 +1    15    14    13
  H     1.06265820 +1  125.7509669 +1  171.9075944 +1    16    15    14
  H     1.06519732 +1  125.8099261 +1  113.2680446 +1    17    13     1