Accuracy

Nd_(BOKPEW) r   6674 Neodymium complex, CCDC: BOKPEW (Geo)

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    #  Species Formula
  6664 Neodymium complex, CCDC: HODDEJ (Geo)C39H31OSNd
  6665 Neodymium complex, CCDC: TAZYOI (Geo)C7H20NO11SNd
  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


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 CHARGE=-1
Neodymium complex, CCDC: BOKPEW
 <Nd-Cl> <> <Cl-Nd-Cl> <Nd-C> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.53885247 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     3.21743314 +1  106.2657643 +1    0.0000000 +0     1     2     0
  C     2.62856855 +1  108.2547295 +1  121.5095301 +1     1     2     3
  C     1.48603755 +1  111.1740515 +1 -156.8210475 +1     4     1     2
  C     1.37451886 +1  108.8415808 +1 -106.6454322 +1     5     4     1
  C     1.45134015 +1  108.6854931 +1   -8.1903832 +1     6     5     4
  C     1.48587304 +1  110.8731960 +1   88.8572423 +1     4     1     2
  C     3.64486947 +1   92.3399550 +1 -124.3781329 +1     1     2     3
  C     1.41945975 +1   84.2686841 +1   96.9155490 +1     9     1     2
  C     1.41801342 +1  107.6692424 +1   76.1811311 +1    10     9     1
  C     1.41904276 +1  108.2277211 +1    1.0061214 +1    11    10     9
  C     1.41118846 +1   79.5708598 +1 -153.3896762 +1     9     1     2
 Si     1.84017854 +1  130.5444817 +1   87.1189091 +1     5     4     1
 Si     1.84130054 +1  130.8319973 +1  -84.1817939 +1     8     4     1
 Si     1.81172999 +1  126.5719359 +1 -112.1303523 +1    10     9     1
 Si     1.81214981 +1  125.4116338 +1  172.0235094 +1    12    11    10
  C     1.87226051 +1  111.3895404 +1  -30.8774682 +1    14     5     4
  C     1.87159167 +1  109.4604181 +1 -150.5736380 +1    14     5     4
  C     1.87205357 +1  107.4454409 +1   89.1184350 +1    14     5     4
  C     1.87134700 +1  108.7472391 +1  137.6386127 +1    15     8     4
  C     1.87464892 +1  110.6509795 +1   18.2641647 +1    15     8     4
  C     1.87027283 +1  108.1932768 +1 -101.9429324 +1    15     8     4
  C     1.87532147 +1  109.8432303 +1 -105.3797903 +1    16    10     9
  C     1.87671408 +1  110.1384925 +1   15.8029365 +1    16    10     9
  C     1.88172731 +1  109.2541120 +1  134.5688274 +1    16    10     9
  C     1.87546451 +1  109.9628367 +1 -175.7302632 +1    17    12    11
  C     1.88354171 +1  109.2092129 +1   66.0142057 +1    17    12    11
  C     1.87501637 +1  110.1025299 +1  -54.2258400 +1    17    12    11
  H     1.08042143 +1   99.4890213 +1  -33.8010235 +1     4     1     2
  H     1.07338522 +1  129.8871083 +1  174.1978563 +1     6     5     4
  H     1.07335592 +1  121.5047234 +1 -177.4631010 +1     7     6     5
  H     1.10548611 +1  110.0673055 +1  167.9481506 +1    18    14     5
  H     1.10043966 +1  112.6636363 +1   48.8979492 +1    18    14     5
  H     1.10867624 +1  112.5315596 +1  -74.6643668 +1    18    14     5
  H     1.10307741 +1  111.0519809 +1 -178.7720574 +1    19    14     5
  H     1.10586153 +1  111.0499869 +1   61.7236494 +1    19    14     5
  H     1.10307888 +1  111.4761462 +1  -58.2798939 +1    19    14     5
  H     1.10371012 +1  110.7797817 +1   58.8073104 +1    20    14     5
  H     1.10408738 +1  110.5120629 +1  -59.8766163 +1    20    14     5
  H     1.10154962 +1  111.6572524 +1  179.6151340 +1    20    14     5
  H     1.10259193 +1  111.3701126 +1  178.2864461 +1    21    15     8
  H     1.10470049 +1  110.9824396 +1   58.1297864 +1    21    15     8
  H     1.10596944 +1  111.8043508 +1  -61.2504432 +1    21    15     8
  H     1.10458833 +1  110.3372940 +1 -164.0204657 +1    22    15     8
  H     1.10399520 +1  111.7108628 +1  -45.4592012 +1    22    15     8
  H     1.10317531 +1  113.3979025 +1   76.8356607 +1    22    15     8
  H     1.10386157 +1  110.8653325 +1  -59.1664819 +1    23    15     8
  H     1.10165610 +1  111.6710284 +1 -179.9909186 +1    23    15     8
  H     1.10443893 +1  110.4769939 +1   59.5681645 +1    23    15     8
  H     1.06741656 +1  107.5128280 +1  -30.5261834 +1     9     1     2
  H     1.07307332 +1  125.8940926 +1  178.8551958 +1    11    10     9
  H     1.06852628 +1  124.3524142 +1  103.5146057 +1    13     9     1
  H     1.09981303 +1  111.9795121 +1 -179.9694548 +1    24    16    10
  H     1.10387051 +1  110.2098494 +1  -58.9364884 +1    24    16    10
  H     1.10384966 +1  110.0140725 +1   59.1652555 +1    24    16    10
  H     1.10348236 +1  110.5319852 +1  -57.8908333 +1    25    16    10
  H     1.10362102 +1  111.4224078 +1   61.5215188 +1    25    16    10
  H     1.10143882 +1  111.4602841 +1 -178.0949252 +1    25    16    10
  H     1.10085013 +1  112.2076524 +1  -73.2069347 +1    26    16    10
  H     1.10284253 +1  110.7457271 +1  167.1607235 +1    26    16    10
  H     1.10439382 +1  111.0660727 +1   47.8902409 +1    26    16    10
  H     1.10054861 +1  111.7248462 +1 -179.2885110 +1    27    17    12
  H     1.10618779 +1  110.6216173 +1  -58.9218243 +1    27    17    12
  H     1.10304410 +1  110.5692393 +1   59.9774273 +1    27    17    12
  H     1.10346473 +1  111.3752472 +1  -49.3401068 +1    28    17    12
  H     1.10167771 +1  111.8254394 +1   72.4917471 +1    28    17    12
  H     1.10264423 +1  110.4884843 +1 -168.4602453 +1    28    17    12
  H     1.10371487 +1  110.3392745 +1   59.0522538 +1    29    17    12
  H     1.10384324 +1  110.0159950 +1  -59.1550311 +1    29    17    12
  H     1.09972208 +1  111.9628590 +1 -179.9332261 +1    29    17    12