Accuracy

Nd_(NIPREJ) r   6627 Neodymium complex, CCDC: NIPREJ (Geo)

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    #  Species Formula
  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
  6635 Neodymium complex, CCDC: TUPYOS (Geo)C30H57N6O12Nd
  6636 Neodymium complex, CCDC: RICNOG (Geo)C16H18N9O12Nd
  6637 Neodymium complex, CCDC: ANTNND10 (Geo)C33H36N9O12Nd


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: NIPREJ
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <> <> <> <Nd-N6> <> <> <Nd-N7> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.40269988 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.51149998 +1   92.0120794 +1    0.0000000 +0     1     2     0
  O     2.55670000 +1  128.6123952 +1  175.1305583 +1     1     2     3
  O     2.13909849 +1  135.6147606 +1  159.4148273 +1     4     1     2
  N     2.64519927 +1  120.1431859 +1  -68.4155131 +1     1     2     3
  N     2.65789999 +1  163.3017292 +1   45.4415966 +1     1     2     3
  N     3.93728449 +1   58.2070274 +1  119.5476700 +1     2     1     3
  N     3.30812316 +1   66.7847725 +1  127.7522728 +1     1     2     3
  N     3.37272854 +1  108.7537124 +1   89.6885179 +1     1     2     3
  N     3.32020371 +1   73.8988334 +1 -174.3560968 +1     1     2     3
  N     1.29156797 +1  163.9730365 +1  132.0219508 +1     4     1     2
  N     1.30551897 +1  163.1004664 +1 -129.8197962 +1     2     1     3
  N     1.29705744 +1  154.8127358 +1 -103.8771259 +1     3     1     2
  O     1.22342567 +1  116.2100765 +1   25.6695248 +1    13     2     1
  O     1.23532033 +1  115.3564444 +1  -24.0608919 +1    14     3     1
  O     1.20436703 +1  118.9963921 +1  154.8298567 +1    14     3     1
  O     1.20690450 +1  117.4497612 +1 -152.2718775 +1    13     2     1
  O     1.21592480 +1  117.5660893 +1 -142.2080739 +1    12     4     1
  C     1.50232200 +1  120.9917575 +1  -46.8879235 +1     6     1     2
  C     1.48389977 +1  130.1092827 +1  -42.7223119 +1     8     2     1
  C     1.48630845 +1  108.7536830 +1  100.9040618 +1     8     2     1
  C     1.55003029 +1  109.8392992 +1   15.0926358 +1    22     8     2
  C     1.47933560 +1  114.2440695 +1  -55.4489339 +1    11     1     2
  C     1.48366449 +1  113.4563043 +1  105.0909738 +1     9     1     2
  C     1.47866345 +1  113.0785408 +1 -124.5275044 +1     9     1     2
  C     1.48786219 +1  105.2992126 +1   68.7578022 +1    10     1     2
  C     1.48675982 +1  101.8606121 +1 -174.5625210 +1    10     1     2
  C     1.50105587 +1  117.1150253 +1   21.5036494 +1     7     1     2
  C     1.50380758 +1  111.3125164 +1 -106.2271082 +1     7     1     2
  C     1.50802626 +1  110.2515651 +1 -177.6214589 +1     6     1     2
  H     1.11119811 +1  111.2893539 +1 -175.3676146 +1    20     6     1
  H     1.11422328 +1  107.5482280 +1   68.9993591 +1    20     6     1
  H     1.11037762 +1  112.6886057 +1 -145.8893733 +1    21     8     2
  H     1.11351599 +1  109.1494048 +1   96.3987647 +1    21     8     2
  H     1.11476279 +1  109.2230219 +1 -105.0319679 +1    22     8     2
  H     1.10932989 +1  112.2105420 +1  137.1421687 +1    22     8     2
  H     1.11374996 +1  110.7133301 +1   43.0230219 +1    23    22     8
  H     1.11067228 +1  109.0392775 +1  160.3230154 +1    23    22     8
  H     1.11035159 +1  112.7388473 +1 -172.8180377 +1    24    11     1
  H     1.11458290 +1  108.2977763 +1   69.1452230 +1    24    11     1
  H     1.11026869 +1  112.3178537 +1 -175.5117954 +1    25     9     1
  H     1.11462857 +1  108.3127333 +1   66.5912606 +1    25     9     1
  H     1.11096520 +1  112.7251995 +1 -168.4404624 +1    26     9     1
  H     1.11284231 +1  108.6890151 +1   74.2749200 +1    26     9     1
  H     1.10850465 +1  112.2747911 +1  174.0947413 +1    27    10     1
  H     1.11585193 +1  108.4040064 +1   56.2428754 +1    27    10     1
  H     1.11423879 +1  110.0309733 +1  -80.1391395 +1    28    10     1
  H     1.10959561 +1  112.2776292 +1  162.0583884 +1    28    10     1
  H     1.11414907 +1  107.9167250 +1  -53.8392714 +1    29     7     1
  H     1.10946106 +1  111.7835709 +1 -170.8568823 +1    29     7     1
  H     1.10774812 +1  112.1320109 +1 -167.9175269 +1    30     7     1
  H     1.11658404 +1  108.9390241 +1   73.8118852 +1    30     7     1
  H     1.10824019 +1  111.8817902 +1 -171.9023504 +1    31     6     1
  H     1.11467807 +1  109.1329054 +1   69.9189637 +1    31     6     1
  H     1.02241937 +1   79.1538590 +1 -151.2968010 +1     8     2     1
  H     1.02778496 +1   90.7245867 +1 -169.4172410 +1    11     1     2
  H     1.06389112 +1  101.2246925 +1   70.8595494 +1     6     1     2
  H     1.03113392 +1   93.4206751 +1   -9.1598844 +1     9     1     2
  H     1.02199535 +1  116.8458958 +1  -54.3183901 +1    10     1     2
  H     1.04927156 +1  102.0870399 +1  139.9458182 +1     7     1     2