Accuracy

Nd_(MIPTIO) r   6614 Neodymium complex, CCDC: MIPTIO (Geo)

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    #  Species Formula
  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
  6617 Neodymium complex, CCDC: ROMXIA (Geo)C72H52O4Nd
  6618 Neodymium complex, CCDC: RIJSEI (Geo)C58H49O5Nd
  6619 Neodymium complex, CCDC: CANBOI (Geo)C39H48N9O6Nd
  6620 Neodymium complex, CCDC: BAFYUD (Geo)C20H18N5O8Nd
  6621 Neodymium complex, CCDC: HEBCIA (Geo)C51H43N6O8Nd
  6622 Neodymium complex, CCDC: XIPKIQ (Geo)C56H53N6O8Nd
  6623 Neodymium complex, CCDC: BUVWOE01 (Geo)H18O9Nd
  6624 Neodymium complex, CCDC: NATPAZ01 (Geo)C12H30O9Nd


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: MIPTIO
 <Nd-O2> <Nd-N6> <> <Nd-N7> <> <> <Nd-O3> <> <> <Nd-O4> <> <> <Nd-N5> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.27219980 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27280043 +1  101.2719689 +1    0.0000000 +0     1     2     0
  O     2.27349997 +1  109.1553074 +1  101.8065658 +1     1     2     3
  N     2.57389989 +1   92.9934632 +1  169.0079900 +1     1     2     3
  N     2.57426632 +1  153.6239722 +1  -61.9697206 +1     1     2     3
  N     2.79540000 +1  103.4300857 +1 -124.6319396 +1     1     2     3
  N     3.23352063 +1   56.4645572 +1  -85.9583594 +1     1     2     3
  C     1.51338705 +1  118.3354963 +1   25.4557972 +1     7     1     2
  H     1.11468931 +1  107.8725037 +1  -72.9030439 +1     9     7     1
  H     1.10850460 +1  111.2266111 +1  170.2872976 +1     9     7     1
  C     1.45316715 +1  106.4328615 +1 -158.1868877 +1     8     1     2
  H     1.11385281 +1  107.7323187 +1  -67.9798446 +1    12     8     1
  H     1.11030459 +1  115.1985834 +1  173.6080272 +1    12     8     1
  C     1.29348590 +1  127.5571929 +1   -1.9955937 +1     8     1     2
  H     1.10460178 +1  123.2086891 +1 -160.8766022 +1    15     8     1
  C     1.45065006 +1  121.5654076 +1   18.1979347 +1    15     8     1
  C     1.28011629 +1  160.7135343 +1   43.7875246 +1     2     1     3
  C     1.42779272 +1  118.1132870 +1 -132.9918008 +1    18     2     1
  H     1.08445626 +1  117.8101916 +1    0.1113471 +1    19    18     2
  C     1.37238375 +1  119.8794216 +1  179.9388704 +1    19    18     2
  H     1.09018804 +1  120.3490705 +1 -179.6781806 +1    21    19    18
  C     1.40990302 +1  120.7281017 +1    0.2771604 +1    21    19    18
  H     1.08389377 +1  119.5447396 +1 -179.6748180 +1    23    21    19
  C     1.37985210 +1  119.7392100 +1    0.2962704 +1    23    21    19
  H     1.09061951 +1  119.5020262 +1  179.9792313 +1    25    23    21
  C     1.47835739 +1  112.1840411 +1   76.2397373 +1     5     1     2
  C     1.51168321 +1  108.4311104 +1  -94.8864953 +1     7     1     2
  C     1.50698146 +1  109.2310578 +1  148.2877610 +1     7     1     2
  H     1.11425632 +1  108.6077993 +1  -81.5990363 +1    29     7     1
  H     1.10700163 +1  112.3217561 +1  160.7879337 +1    29     7     1
  C     1.47754205 +1  112.9048238 +1  -98.7186894 +1     6     1     2
  C     1.27077726 +1  150.5450994 +1   75.2846639 +1     4     1     2
  C     1.42311991 +1  119.9766495 +1    8.3432734 +1    33     4     1
  C     1.31854084 +1  132.8475251 +1 -103.7123095 +1     5     1     2
  H     1.11000940 +1  120.0902647 +1  177.3598569 +1    35     5     1
  C     1.41643765 +1  117.8182556 +1 -179.4134646 +1    34    33     4
  C     1.37263960 +1  121.4846045 +1   -0.3704925 +1    37    34    33
  C     1.41871966 +1  120.0559975 +1   -0.0440304 +1    38    37    34
  C     1.36711586 +1  120.8141166 +1    0.1962414 +1    39    38    37
  H     1.08619141 +1  122.9125947 +1  179.9630635 +1    40    39    38
  H     1.09113197 +1  118.5418994 +1 -179.9022574 +1    39    38    37
  H     1.08500655 +1  120.9322338 +1  179.8779161 +1    38    37    34
  H     1.09085271 +1  118.7250501 +1  179.5285028 +1    37    34    33
  C     1.26957834 +1  149.4504627 +1 -173.3544154 +1     3     1     2
  C     1.42408537 +1  120.0380609 +1   15.9246127 +1    45     3     1
  C     1.32014424 +1  132.2371763 +1   78.5409401 +1     6     1     2
  H     1.11008192 +1  119.9637850 +1  178.0708312 +1    47     6     1
  C     1.41708163 +1  117.8179576 +1 -178.7439278 +1    46    45     3
  C     1.37203076 +1  121.4842294 +1   -0.5905554 +1    49    46    45
  C     1.41958463 +1  120.0768905 +1   -0.2878694 +1    50    49    46
  C     1.36625835 +1  120.8129230 +1    0.4737406 +1    51    50    49
  H     1.08637389 +1  122.9468135 +1 -179.9429496 +1    52    51    50
  H     1.09113648 +1  118.5063237 +1 -179.5894487 +1    51    50    49
  H     1.08494933 +1  120.9433538 +1  179.7211798 +1    50    49    46
  H     1.09074440 +1  118.6926111 +1  179.2546107 +1    49    46    45
  H     1.11300558 +1  108.4995750 +1  -62.1025312 +1    32     6     1
  H     1.10992496 +1  114.2017819 +1 -179.5923718 +1    32     6     1
  H     1.11243274 +1  109.6127767 +1  -79.7125643 +1    28     7     1
  H     1.10727761 +1  112.4300426 +1  162.6856131 +1    28     7     1
  H     1.11505565 +1  108.3311686 +1  -61.0734825 +1    27     5     1
  H     1.10929501 +1  114.2548178 +1 -178.6724899 +1    27     5     1