Accuracy

Nd_(NATPAZ01) r   6624 Neodymium complex, CCDC: NATPAZ01 (Geo)

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    #  Species Formula
  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
  6634 Neodymium complex, CCDC: OBELUC (Geo)C21H9N3O12Nd


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: NATPAZ01
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> <> <> <Nd-O6> <> <> <Nd-O7> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.47590000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.47810018 +1   91.7030602 +1    0.0000000 +0     1     2     0
  O     2.47930007 +1   94.3750685 +1 -175.7014937 +1     1     2     3
  O     2.48139978 +1  179.9970801 +1   52.2354322 +1     1     2     3
  O     2.48909963 +1   78.7270211 +1  -95.8765699 +1     1     2     3
  O     2.48949973 +1   89.7836052 +1   97.6432608 +1     1     2     3
  O     3.39720022 +1  126.1819105 +1  -72.1987970 +1     1     2     3
  O     3.57377353 +1   51.9046912 +1 -141.9161048 +1     1     2     3
  O     3.50577406 +1   68.9494714 +1   49.1585396 +1     1     2     3
  C     1.48629142 +1  130.5154409 +1  107.4003795 +1     2     1     3
  C     1.51712776 +1  107.6835473 +1   76.1260860 +1    11     2     1
  C     1.42301634 +1  101.2488062 +1 -127.1042888 +1     9     1     2
  C     1.49551305 +1  128.7165632 +1   66.4593386 +1     4     1     2
  C     1.47069063 +1  134.6079005 +1  129.4161553 +1     6     1     2
  C     1.42549735 +1  106.9061452 +1  -44.3227915 +1     8     1     2
  C     1.42206936 +1  105.8291652 +1 -167.3086217 +1     8     1     2
  C     1.49702876 +1  130.4668701 +1  -96.5981769 +1     5     1     2
  C     1.49619561 +1  133.3024910 +1   39.1997542 +1     3     1     2
  C     1.51549415 +1  108.1099685 +1   61.8388226 +1    19     3     1
  C     1.41102014 +1  106.0960953 +1  110.5694245 +1    10     1     2
  C     1.51714375 +1  110.0401958 +1   26.4457612 +1    21    10     1
  H     0.99450976 +1  123.3669053 +1   87.9547271 +1     5     1     2
  H     0.99510571 +1  125.3890484 +1 -113.6615271 +1     4     1     2
  H     0.99500764 +1  121.9266226 +1  -68.8097624 +1     2     1     3
  H     0.99460747 +1  123.5728025 +1   65.7745539 +1     7     1     2
  H     1.00220187 +1  114.8683586 +1  -50.0158696 +1     6     1     2
  H     0.99350318 +1  119.9991247 +1 -137.2842347 +1     3     1     2
  H     1.10498873 +1  103.0921460 +1  -45.1515973 +1    11     2     1
  H     1.10997210 +1  107.4803143 +1 -161.6999530 +1    11     2     1
  H     1.11914161 +1  111.5973461 +1  175.8989420 +1    12    11     2
  H     1.10712789 +1  112.6113076 +1   53.6154047 +1    12    11     2
  H     1.11999104 +1  107.0536441 +1 -159.5294264 +1    13     9     1
  H     1.10805530 +1  111.5971415 +1   82.0284844 +1    13     9     1
  H     1.11137791 +1  107.0832669 +1  162.3206356 +1    14     4     1
  H     1.10368452 +1  103.0415197 +1   45.9235232 +1    14     4     1
  H     1.10697259 +1  103.3920670 +1  -57.3477792 +1    15     6     1
  H     1.10822553 +1  108.2661464 +1 -174.6369224 +1    15     6     1
  H     1.10445563 +1  111.3065274 +1  -78.8382574 +1    16     8     1
  H     1.11776776 +1  107.9527426 +1  161.5096782 +1    16     8     1
  H     1.11908737 +1  108.0490848 +1 -161.2698305 +1    17     8     1
  H     1.10609329 +1  111.4062289 +1   79.4454186 +1    17     8     1
  H     1.11010760 +1  107.0309928 +1  171.5165781 +1    18     5     1
  H     1.10298912 +1  102.8451347 +1   54.8527042 +1    18     5     1
  H     1.10638797 +1  102.6912421 +1  -59.0218572 +1    19     3     1
  H     1.10855566 +1  106.9967996 +1 -175.9198187 +1    19     3     1
  H     1.10328910 +1  113.4661942 +1   51.9700817 +1    20    19     3
  H     1.11975884 +1  110.7957506 +1  174.3662932 +1    20    19     3
  H     1.11425470 +1  102.1911294 +1  -94.0425050 +1    21    10     1
  H     1.11510168 +1  112.2111271 +1  151.6222913 +1    21    10     1
  H     1.10177003 +1  115.2356841 +1   58.1804035 +1    22    21    10
  H     1.11048056 +1  113.5416392 +1 -173.6073130 +1    22    21    10