Accuracy

Nd_(BUVWOE01) r   6623 Neodymium complex, CCDC: BUVWOE01 (Geo)

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    #  Species Formula
  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
  6631 Neodymium complex, CCDC: QAJHEO (Geo)C14H20N3O11Nd
  6632 Neodymium complex, CCDC: QOZVIK (Geo)C12H24N2O12Nd
  6633 Neodymium complex, CCDC: QOZWIL (Geo)C12H24N2O12Nd


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=3
Neodymium complex, CCDC: BUVWOE01
 <Nd-O2> <Nd-O2> <> <Nd-O4> <> <> <Nd-O4> <> <> <Nd-O5> <> <> <Nd-O5> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.45059968 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45059980 +1   85.3303352 +1    0.0000000 +0     1     2     0
  O     2.45109996 +1  176.6438167 +1   21.5630297 +1     1     2     3
  O     2.45109998 +1   91.1212965 +1   98.7352453 +1     1     2     3
  O     2.45160039 +1   94.6675729 +1  -96.3043813 +1     1     2     3
  O     2.45160052 +1   89.2518443 +1 -165.6596203 +1     1     2     3
  O     4.41327111 +1   80.4046211 +1   73.2986889 +1     1     2     3
  O     4.29159745 +1   91.4916912 +1 -130.9757809 +1     1     2     3
  O     4.41401462 +1   94.1065175 +1  -26.0868099 +1     1     2     3
  H     0.98183859 +1  126.5018468 +1   -4.6938210 +1    10     1     2
  H     1.02869753 +1  123.7384863 +1   93.1543650 +1     7     1     2
  H     0.99196658 +1  135.4137135 +1  -88.5271373 +1     7     1     2
  H     0.98191625 +1  125.4150550 +1  150.8963343 +1    10     1     2
  H     0.98246349 +1  127.1041491 +1    5.1150463 +1     9     1     2
  H     0.98244891 +1  128.6765714 +1 -174.5350673 +1     9     1     2
  H     0.98230378 +1  124.8447267 +1   31.9003280 +1     8     1     2
  H     0.98243229 +1  126.7779104 +1 -173.6710237 +1     8     1     2
  H     1.11621701 +1  128.2791806 +1  -66.1866300 +1     5     1     2
  H     0.97642355 +1  133.1378946 +1  113.2240406 +1     5     1     2
  H     1.00049786 +1  129.5262043 +1   10.0696125 +1     2     1     3
  H     1.00065919 +1  130.5648938 +1 -169.4084956 +1     2     1     3
  H     1.02725387 +1  124.3866178 +1  -85.4301492 +1     6     1     2
  H     0.99092635 +1  134.1568061 +1   92.5838569 +1     6     1     2
  H     1.00128029 +1  129.5818548 +1   47.6650500 +1     4     1     2
  H     1.00028766 +1  130.6302670 +1 -132.8972092 +1     4     1     2
  H     1.11072294 +1  128.9981898 +1 -108.5123662 +1     3     1     2
  H     0.97622392 +1  131.4398013 +1   75.0728209 +1     3     1     2