Accuracy

Nd_(QAJHEO) r   6631 Neodymium complex, CCDC: QAJHEO (Geo)

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    #  Species Formula
  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
  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


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=-2
Neodymium complex, CCDC: QAJHEO
 <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     2.38660038 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.42100000 +1  121.5257249 +1    0.0000000 +0     1     2     0
  O     2.42710021 +1  111.7321841 +1   89.9281417 +1     1     2     3
  O     2.44910037 +1  179.9965575 +1 -142.8008511 +1     1     2     3
  O     2.45470002 +1   79.7789190 +1  -61.8642988 +1     1     2     3
  O     2.46770061 +1   80.3893401 +1  169.9387271 +1     1     2     3
  N     2.80035190 +1   77.4020401 +1   70.7571309 +1     6     1     2
  N     3.43384858 +1   70.2282287 +1   57.1062237 +1     1     2     3
  N     2.78988630 +1   79.9479805 +1  -49.6785422 +1     7     1     2
  O     2.22390072 +1  164.1721715 +1   36.2704187 +1     6     1     2
  O     2.21444513 +1  173.5435901 +1   20.7895366 +1     3     1     2
  O     2.22419104 +1  175.3040598 +1 -132.2553018 +1     2     1     3
  O     2.21884394 +1  174.9829437 +1  -64.0246624 +1     4     1     2
  O     2.22211025 +1  167.0587946 +1  -85.1905870 +1     7     1     2
  C     1.22317773 +1   28.0014518 +1  -30.6579994 +1    12     3     1
  C     1.46916541 +1  101.4818778 +1  106.8712638 +1     8     6     1
  H     1.10472839 +1  113.4526837 +1 -179.5349954 +1    17     8     6
  H     1.11143517 +1  112.0197177 +1   60.2367371 +1    17     8     6
  C     1.22191591 +1   27.2132896 +1   20.5681223 +1    11     6     1
  C     1.47782103 +1   59.4680013 +1 -143.3073739 +1     8     6     1
  H     1.10061594 +1  114.0778058 +1 -141.1511836 +1    21     8     6
  H     1.11967833 +1  108.7628649 +1   98.0960252 +1    21     8     6
  C     1.48151469 +1  141.7196640 +1  -56.8565652 +1     8     6     1
  H     1.12079129 +1  106.5847102 +1  -17.4226673 +1    24     8     6
  H     1.10808014 +1  112.3572517 +1 -134.9370763 +1    24     8     6
  C     1.48833401 +1  107.8418902 +1  -86.3250677 +1     9     1     2
  H     1.11515783 +1  107.4740632 +1  -75.0915444 +1    27     9     1
  H     1.10760184 +1  112.2147581 +1  167.3692820 +1    27     9     1
  C     1.22524847 +1   27.2135600 +1   16.6835227 +1    14     4     1
  C     1.47655384 +1  105.0092366 +1  155.3644985 +1     9     1     2
  H     1.10356151 +1  113.7218456 +1 -143.3143282 +1    31     9     1
  H     1.10995026 +1  111.2323217 +1   96.4563040 +1    31     9     1
  C     1.48209728 +1  107.5193848 +1   34.7126198 +1     9     1     2
  H     1.11672018 +1  107.0606460 +1  -61.6770995 +1    34     9     1
  H     1.10918402 +1  112.1894504 +1 -179.1912165 +1    34     9     1
  C     1.47989594 +1  147.7968708 +1  -60.1001720 +1    10     7     1
  H     1.11289391 +1  108.5936581 +1  -32.7747130 +1    37    10     7
  H     1.11041987 +1  112.1629345 +1 -150.4929447 +1    37    10     7
  C     1.22145589 +1   27.3829326 +1   21.3803810 +1    15     7     1
  C     1.47455946 +1   60.0545721 +1 -145.1076331 +1    10     7     1
  H     1.10229016 +1  114.2211634 +1 -139.8520755 +1    41    10     7
  H     1.11501496 +1  108.9814946 +1   99.4153488 +1    41    10     7
  C     1.22340871 +1   27.0920699 +1    0.9973141 +1    13     2     1
  C     1.47186060 +1   97.4896278 +1  102.9811233 +1    10     7     1
  H     1.10343947 +1  113.9031408 +1  162.7161126 +1    45    10     7
  H     1.10974417 +1  111.2832339 +1   41.9265561 +1    45    10     7
  H     0.96637032 +1  119.3761569 +1 -108.6520606 +1     5     1     2
  H     1.03260441 +1   99.6862363 +1  139.7848163 +1     5     1     2