Accuracy

Nd_(BAFYUD) r   6620 Neodymium complex, CCDC: BAFYUD (Geo)

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    #  Species Formula
  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
  6625 Neodymium complex, CCDC: GUHJAU (Geo)C20H20N7O9Nd
  6626 Neodymium complex, CCDC: DUCMAP (Geo)C13H16N8O9Nd
  6627 Neodymium complex, CCDC: NIPREJ (Geo)C12H30N9O9Nd
  6628 Neodymium complex, CCDC: YENKOR (Geo)C21H29N6O10Nd
  6629 Neodymium complex, CCDC: SUXCAP (Geo)C21H29N10O10Nd
  6630 Neodymium complex, CCDC: ZAMHIE (Geo)C10H18N2O11Nd


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: BAFYUD
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> <> <> <> <> <> <> <> <> <Nd-N8> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.33000028 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34610000 +1   67.1854597 +1    0.0000000 +0     1     2     0
  O     2.52100039 +1   98.3239670 +1   94.3993997 +1     1     2     3
  O     2.53909988 +1  103.1828995 +1  -96.5370507 +1     1     2     3
  O     2.14300207 +1  119.1627554 +1 -138.3474677 +1     4     1     2
  O     2.14375192 +1  121.6177731 +1  177.2730840 +1     5     1     2
  N     2.59849959 +1  168.7171781 +1   37.9783471 +1     1     2     3
  N     3.30427698 +1  132.8417923 +1 -168.4629690 +1     1     2     3
  N     3.56887947 +1   84.8619704 +1 -174.5247189 +1     1     2     3
  N     1.22980622 +1   33.0206925 +1 -175.0644192 +1     6     4     1
  N     1.22855050 +1   32.8984863 +1  179.6434442 +1     7     5     1
  O     1.20751072 +1  125.5520217 +1 -179.7614624 +1    11     6     4
  O     1.20924589 +1  125.3901899 +1 -179.1493054 +1    12     7     5
  C     1.34561062 +1  121.6188783 +1  -23.7473788 +1    10     1     2
  H     1.09789720 +1  115.7916463 +1   11.3389104 +1    15    10     1
  C     1.40051831 +1  122.6886513 +1 -168.5995471 +1    15    10     1
  H     1.08713388 +1  120.4160869 +1  179.9990702 +1    17    15    10
  C     1.39257677 +1  118.5552799 +1    0.3374683 +1    17    15    10
  H     1.09130482 +1  120.4658424 +1  179.4166011 +1    19    17    15
  C     1.39396764 +1  119.3381468 +1   -0.4436946 +1    19    17    15
  H     1.08750536 +1  120.7002291 +1  179.1843169 +1    21    19    17
  C     1.35323330 +1  118.9946300 +1  167.4301823 +1    10     1     2
  C     1.34772154 +1  123.0411567 +1   20.7558502 +1     9     1     2
  C     1.40258583 +1  122.0839128 +1  128.5624385 +1    24     9     1
  H     1.08775379 +1  120.7546044 +1 -178.7434400 +1    25    24     9
  C     1.39374688 +1  118.4666595 +1   -0.8867009 +1    25    24     9
  H     1.09244129 +1  120.2544567 +1 -177.7722101 +1    27    25    24
  C     1.39486174 +1  119.7224728 +1    0.9341341 +1    27    25    24
  H     1.08954669 +1  120.7727987 +1 -176.6197590 +1    29    27    25
  C     1.34892551 +1  101.0088552 +1  156.7442598 +1     9     1     2
  C     1.37240720 +1  127.8635063 +1  169.7989866 +1     8     1     2
  C     1.39926935 +1  122.9867031 +1 -173.4402631 +1    32     8     1
  H     1.08916300 +1  120.2096324 +1  178.9127510 +1    33    32     8
  C     1.39278507 +1  119.7366950 +1   -0.1033551 +1    33    32     8
  H     1.09162636 +1  120.6032123 +1  179.2255346 +1    35    33    32
  C     1.38968118 +1  118.4611106 +1   -0.3841897 +1    35    33    32
  H     1.08962933 +1  121.2669171 +1  178.9420558 +1    37    35    33
  C     1.36714720 +1  116.2317057 +1   -3.9377230 +1     8     1     2
  H     1.10249973 +1  116.2962900 +1   -4.6817745 +1    39     8     1
  C     2.34550108 +1  176.6166918 +1   57.9258836 +1     3     1     2
  H     1.10235373 +1   82.8580126 +1  127.3523626 +1    41     3     1
  H     1.10074054 +1  119.7518536 +1   21.4732131 +1    41     3     1
  H     1.09913649 +1  126.3045237 +1 -126.0356204 +1    41     3     1
  C     1.26609931 +1  143.3986840 +1    3.6488813 +1     3     1     2
  C     1.40191503 +1  121.3187830 +1   -4.2750604 +1    45     3     1
  H     1.08182673 +1  118.6357741 +1 -179.0137593 +1    46    45     3
  C     1.26834380 +1  143.5283842 +1   -1.3153166 +1     2     1     3
  C     1.49127281 +1  116.3087060 +1 -179.7982164 +1    48     2     1
  H     1.10138660 +1  111.7807834 +1    0.9310399 +1    49    48     2
  H     1.10024748 +1  111.2604251 +1 -119.1508569 +1    49    48     2
  H     1.09977669 +1  111.4099688 +1  121.2738498 +1    49    48     2