Accuracy

Nd_(HOXNND01) r   6648 Neodymium complex, CCDC: HOXNND01 (Geo)

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    #  Species Formula
  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
  6652 Neodymium complex, CCDC: YOGRIV (Geo)C31H50N3OSi3Nd
  6653 Neodymium complex, CCDC: OFONIG (Geo)C30H48N3O3Si3Nd
  6654 Neodymium complex, CCDC: OFONUS (Geo)C45H54N3O3Si3Nd
  6655 Neodymium complex, CCDC: WOFMOT (Geo)C36H69Si6Nd
  6656 Neodymium complex, CCDC: IMACAA (Geo)C31H71OSi6Nd
  6657 Neodymium complex, CCDC: YIBSIL (Geo)C20H58N3O2Si6Nd
  6658 Neodymium complex, CCDC: RAMXAE (Geo)C33H31N4O12P2Nd


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: HOXNND01
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.57963657 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.59031732 +1  130.3914875 +1    0.0000000 +0     1     2     0
  O     2.59770007 +1   69.8070505 +1  -70.5235310 +1     1     2     3
  O     2.60193487 +1  130.8652597 +1 -172.6548795 +1     1     2     3
  O     2.13352973 +1  107.5334733 +1   70.1196039 +1     3     1     2
  O     2.14776104 +1  149.4230969 +1 -135.4345153 +1     2     1     3
  O     2.13343330 +1  109.7695349 +1   63.3139120 +1     5     1     2
  O     3.30681030 +1   70.6685521 +1  109.3643005 +1     1     2     3
  O     3.29082190 +1   55.3389503 +1 -134.5998294 +1     1     2     3
  O     3.32525964 +1   55.0685147 +1   51.8993352 +1     1     2     3
  O     3.00473851 +1   69.1527950 +1  -83.2563301 +1    11     1     2
  O     2.93494834 +1   70.2546038 +1  -83.2896580 +1    10     1     2
  N     1.28790643 +1  179.6670454 +1 -150.0210745 +1     2     1     3
  N     1.23250141 +1   33.7359294 +1 -178.4984557 +1     8     5     1
  N     1.23245713 +1   33.8242687 +1 -179.5129195 +1     6     3     1
  O     1.20274734 +1  126.4761381 +1  179.4306461 +1    15     8     5
  O     1.22169991 +1  117.3298593 +1 -165.3197546 +1    14     2     1
  O     1.20262563 +1  126.6087452 +1  179.6034669 +1    16     6     3
  C     1.45621317 +1  124.4338623 +1  -53.1310658 +1     4     1     2
  C     1.41745743 +1   97.5103520 +1  118.0885575 +1    10     1     2
  C     1.42304095 +1  112.6700192 +1 -117.5131827 +1    10     1     2
  C     1.43127348 +1   50.8714333 +1  169.8641221 +1    13    10     1
  C     1.42919907 +1  129.8785768 +1   83.6856132 +1    13    10     1
  C     1.42191606 +1  111.8004322 +1   88.5080160 +1     9     1     2
  C     1.43066786 +1  112.0179182 +1  -42.3858030 +1     9     1     2
  C     1.42190197 +1  110.5740233 +1  116.1904099 +1    11     1     2
  C     1.42603686 +1  110.8292142 +1 -112.7886782 +1    11     1     2
  C     1.43066159 +1   49.1244457 +1  162.1934927 +1    12    11     1
  C     1.42624477 +1  124.3773879 +1   69.4644187 +1    12    11     1
  C     1.45101356 +1  116.7864737 +1   96.1236734 +1     4     1     2
  H     1.10131468 +1  108.3627508 +1 -167.0963578 +1    20     4     1
  H     1.11440306 +1  105.6438636 +1   73.6510416 +1    20     4     1
  H     1.10577482 +1  110.2702814 +1   60.7103991 +1    21    10     1
  H     1.10632376 +1  109.6459814 +1 -179.7788146 +1    21    10     1
  H     1.10700816 +1  109.4439828 +1  -45.2860099 +1    22    10     1
  H     1.10252287 +1  110.1984564 +1 -165.7084873 +1    22    10     1
  H     1.11197601 +1  109.6824090 +1  -83.1158864 +1    23    13    10
  H     1.10376979 +1  107.6288284 +1  157.2206682 +1    23    13    10
  H     1.10541301 +1  107.9375303 +1  120.9571154 +1    24    13    10
  H     1.11049972 +1  109.1463637 +1    2.5669274 +1    24    13    10
  H     1.10462628 +1  109.2427662 +1  177.6854785 +1    25     9     1
  H     1.11061230 +1  102.0745188 +1   62.7243138 +1    25     9     1
  H     1.10149371 +1  109.4589053 +1 -178.2525898 +1    26     9     1
  H     1.11401907 +1  108.5099558 +1   61.8625315 +1    26     9     1
  H     1.10506623 +1  109.7050592 +1  178.3973622 +1    27    11     1
  H     1.10345674 +1  109.3633446 +1   58.2931027 +1    27    11     1
  H     1.11075283 +1  108.5010695 +1  -47.1533607 +1    28    11     1
  H     1.10007648 +1  110.9086072 +1 -167.1837491 +1    28    11     1
  H     1.10894889 +1  110.8103784 +1  -83.2524960 +1    29    12    11
  H     1.10265558 +1  106.9893469 +1  157.0174366 +1    29    12    11
  H     1.10532737 +1  107.1413358 +1  136.7577828 +1    30    12    11
  H     1.11150187 +1  111.1518740 +1   18.3123641 +1    30    12    11
  H     1.10216131 +1  108.5298741 +1  164.3318831 +1    31     4     1
  H     1.11176280 +1  102.8460523 +1   49.2622256 +1    31     4     1