Accuracy

Nd_(SOTXEE) r   6641 Neodymium complex, CCDC: SOTXEE (Geo)

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    #  Species Formula
  6631 Neodymium complex, CCDC: QAJHEO (Geo)C14H20N3O11Nd
  6632 Neodymium complex, CCDC: QOZVIK (Geo)C12H24N2O12Nd
  6633 Neodymium complex, CCDC: QOZWIL (Geo)C12H24N2O12Nd
  6634 Neodymium complex, CCDC: OBELUC (Geo)C21H9N3O12Nd
  6635 Neodymium complex, CCDC: TUPYOS (Geo)C30H57N6O12Nd
  6636 Neodymium complex, CCDC: RICNOG (Geo)C16H18N9O12Nd
  6637 Neodymium complex, CCDC: ANTNND10 (Geo)C33H36N9O12Nd
  6638 Neodymium complex, CCDC: CAHJAX (Geo)C6H24O13Nd
  6639 Neodymium complex, CCDC: FUCRAW (Geo)H8N3O13Nd
  6640 Neodymium complex, CCDC: SOKBAV (Geo)C12H16N3O13Nd
  6641 Neodymium complex, CCDC: SOTXEE (Geo) C3H13N4O13Nd
  6642 Neodymium complex, CCDC: RIMQIN (Geo)C17H22N5O13Nd
  6643 Neodymium complex, CCDC: FIBXET (Geo)C2H12N7O13Nd
  6644 Neodymium complex, CCDC: SUCRIR (Geo)C12H16N7O13Nd
  6645 Neodymium complex, CCDC: BAWDIM10 (Geo)C8H18N3O14Nd
  6646 Neodymium complex, CCDC: RUGRAM (Geo)C8H18N3O14Nd
  6647 Neodymium complex, CCDC: FUHQII (Geo)C12H12O15Nd
  6648 Neodymium complex, CCDC: HOXNND01 (Geo)C12H24N3O15Nd
  6649 Neodymium complex, CCDC: BEXQIE (Geo)H2N5O16Nd
  6650 Neodymium complex, CCDC: YURMUT (Geo)C22H28N5O16Nd
  6651 Neodymium complex, CCDC: LEJSUO (Geo)C12H16N6O20Nd


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: SOTXEE
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> <> <> <Nd-O6> <> <> <> <> <> <Nd-O8> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.35240040 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.43489986 +1   91.1490832 +1    0.0000000 +0     1     2     0
  O     2.46860047 +1  103.1863730 +1 -158.6802165 +1     1     2     3
  O     2.48110000 +1   98.9702996 +1  107.0355118 +1     1     2     3
  O     2.55783746 +1  163.3349037 +1   84.0242758 +1     1     2     3
  O     2.15555403 +1  116.1152571 +1   22.9438952 +1     6     1     2
  O     2.59077830 +1   81.0216522 +1  -97.4111431 +1     1     2     3
  O     2.15406414 +1  116.4812827 +1 -107.0854455 +1     8     1     2
  O     4.44581362 +1   66.2013728 +1    3.0012061 +1     1     2     3
  O     2.17904832 +1   62.0670179 +1   35.6931622 +1    10     1     2
  N     1.26981320 +1   32.5069355 +1  179.1706190 +1     7     6     1
  N     1.26451500 +1   32.5121024 +1 -177.8258692 +1     9     8     1
  N     1.30785516 +1   91.0513537 +1   27.0519142 +1    10     1     2
  O     1.19730876 +1  123.3297697 +1 -178.5575285 +1    12     7     6
  O     1.19984226 +1  123.6110310 +1  179.2035513 +1    13     9     8
  N     2.25465574 +1  142.5435044 +1   44.8005552 +1     2     1     3
  O     1.21299761 +1  118.1964070 +1 -162.8526613 +1    14    10     1
  C     1.26202950 +1  158.1871046 +1  -12.6025103 +1     2     1     3
  C     1.46388498 +1   93.7979486 +1   35.5254944 +1    17     2     1
  C     1.46616227 +1  149.3149736 +1 -133.0634203 +1    17     2     1
  H     1.10072497 +1  117.7871685 +1  -93.2512642 +1    19     2     1
  H     1.10948269 +1  111.2582712 +1   25.9031193 +1    20    17     2
  H     1.10328181 +1  110.9377859 +1  145.2819552 +1    20    17     2
  H     1.10725513 +1  111.0284740 +1  -94.2091351 +1    20    17     2
  H     1.10445926 +1  111.9554002 +1  -18.2621389 +1    21    17     2
  H     1.10520428 +1  110.7000481 +1 -138.9542364 +1    21    17     2
  H     1.11170867 +1  110.3220195 +1  100.8094579 +1    21    17     2
  H     1.11592166 +1  112.5534721 +1 -171.8622010 +1     5     1     2
  H     0.94786382 +1  141.7490205 +1   -3.4182019 +1     5     1     2
  H     0.95057639 +1  138.9590845 +1 -122.0233724 +1     4     1     2
  H     1.09948467 +1  114.7002711 +1   71.0607412 +1     4     1     2
  H     1.26665777 +1  127.8131052 +1    8.7075946 +1     3     1     2
  H     0.94030248 +1  133.1127090 +1 -174.5815918 +1     3     1     2