Accuracy

Nd_(OBELUC) r   6634 Neodymium complex, CCDC: OBELUC (Geo)

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    #  Species Formula
  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
  6642 Neodymium complex, CCDC: RIMQIN (Geo)C17H22N5O13Nd
  6643 Neodymium complex, CCDC: FIBXET (Geo)C2H12N7O13Nd
  6644 Neodymium complex, CCDC: SUCRIR (Geo)C12H16N7O13Nd


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: OBELUC
 <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     2.46619959 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.46850037 +1   88.4529734 +1    0.0000000 +0     1     2     0
  O     2.47199957 +1  167.0369621 +1  139.9419754 +1     1     2     3
  O     2.49350000 +1   88.7251820 +1   87.7271894 +1     1     2     3
  O     2.49580019 +1   83.5134893 +1 -170.7276962 +1     1     2     3
  O     2.50489985 +1  101.2696963 +1  -84.1775030 +1     1     2     3
  N     3.16107845 +1  138.5184042 +1    9.3996453 +1     1     2     3
  N     3.16721534 +1   50.6993800 +1  -83.5892391 +1     1     2     3
  N     3.16869097 +1   83.8192619 +1  138.2798635 +1     1     2     3
  O     2.24959398 +1  173.1667049 +1   69.9646568 +1     2     1     3
  O     2.24983747 +1  173.1751527 +1  170.0925473 +1     3     1     2
  O     2.25007175 +1  173.1203829 +1 -134.4570219 +1     4     1     2
  O     2.24908704 +1  172.6946404 +1   75.3792392 +1     5     1     2
  O     2.25012375 +1  172.5211302 +1   -0.5060830 +1     7     1     2
  O     2.24932914 +1  172.6380510 +1  -93.5684139 +1     6     1     2
  C     1.33472433 +1  118.6005634 +1  -93.4863099 +1    10     1     2
  C     1.39786745 +1  120.5125289 +1 -179.4652237 +1    17    10     1
  C     1.39920326 +1  117.6720985 +1    0.0545579 +1    18    17    10
  C     1.39907858 +1  120.9015702 +1    0.0412155 +1    19    18    17
  C     1.33464468 +1  118.6596797 +1   87.1831061 +1    10     1     2
  C     1.21864188 +1   25.2517381 +1    8.3159669 +1    14     5     1
  C     1.21870742 +1   25.2322543 +1    6.4721339 +1    16     6     1
  C     1.33466228 +1  118.1523340 +1   -0.6113340 +1     9     1     2
  C     1.39780201 +1  120.4880564 +1 -178.0731990 +1    24     9     1
  C     1.39942083 +1  117.6443117 +1    0.1810909 +1    25    24     9
  C     1.39910478 +1  120.9314548 +1    0.1619152 +1    26    25    24
  C     1.33428092 +1  119.0027365 +1 -178.2229885 +1     9     1     2
  C     1.21803383 +1   25.2917925 +1   14.9120635 +1    11     2     1
  C     1.21878407 +1   25.1569462 +1    0.7303697 +1    15     7     1
  C     1.33450338 +1  118.3690910 +1   -9.5245513 +1     8     1     2
  C     1.39788673 +1  120.4367200 +1  175.1416949 +1    31     8     1
  C     1.39941920 +1  117.6412743 +1   -0.4989128 +1    32    31     8
  C     1.39934165 +1  120.9531236 +1   -0.5311395 +1    33    32    31
  C     1.33431069 +1  118.4607310 +1  164.3223848 +1     8     1     2
  C     1.21791701 +1   25.2729432 +1    0.7837476 +1    12     3     1
  C     1.21782299 +1   25.2285106 +1   -3.7548833 +1    13     4     1
  H     1.08082811 +1  120.3295007 +1 -179.9509104 +1    18    17    10
  H     1.08386754 +1  119.5390467 +1  179.9927745 +1    19    18    17
  H     1.08083163 +1  122.0156221 +1  179.9043897 +1    20    19    18
  H     1.08074709 +1  120.3694488 +1 -179.8965351 +1    25    24     9
  H     1.08395402 +1  119.5196498 +1 -179.9710245 +1    26    25    24
  H     1.08082920 +1  122.0222760 +1  179.7736982 +1    27    26    25
  H     1.08076821 +1  120.3738560 +1  179.7307672 +1    32    31     8
  H     1.08394575 +1  119.5229694 +1  179.8576376 +1    33    32    31
  H     1.08076069 +1  121.9879950 +1 -179.1939245 +1    34    33    32