Accuracy

Nd_(GUHJAU) r   6625 Neodymium complex, CCDC: GUHJAU (Geo)

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    #  Species Formula
  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
  6635 Neodymium complex, CCDC: TUPYOS (Geo)C30H57N6O12Nd


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: GUHJAU
 <Nd-O2> <> <> <Nd-O4> <> <> <Nd-O5> <> <> <> <> <> <> <> <> <Nd-N8> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.52348475 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.14066132 +1  120.0416387 +1    0.0000000 +0     2     1     0
  O     2.55095258 +1   84.9120672 +1   93.7756759 +1     1     2     3
  O     2.55151742 +1  100.7047473 +1  -61.8432159 +1     1     2     3
  O     2.14484598 +1  116.7332461 +1   69.3528184 +1     4     1     2
  O     2.14168111 +1  119.4347834 +1  123.3108433 +1     5     1     2
  N     2.59129991 +1  141.6953925 +1  132.0697494 +1     1     2     3
  N     3.60567178 +1  133.0514544 +1 -133.7340653 +1     1     2     3
  N     3.15262894 +1   70.0094292 +1  174.3436594 +1     1     2     3
  N     3.30962560 +1  147.7274572 +1   25.6451673 +1     1     2     3
  N     1.30913488 +1  150.9309689 +1   -1.3612385 +1     2     1     3
  O     2.15515727 +1  179.9965101 +1  120.9300835 +1     5     1     2
  N     1.29476461 +1  147.5381609 +1   72.8198914 +1     4     1     2
  N     1.20540726 +1   32.0771476 +1    2.2215642 +1    13     5     1
  O     1.20856924 +1  117.2993387 +1 -177.7170859 +1    12     2     1
  H     2.08018370 +1   92.4947198 +1   69.9136792 +1     8     1     2
  C     2.19037483 +1   70.2252154 +1 -167.3120404 +1    17     8     1
  H     1.08608303 +1   91.4049558 +1 -170.9222673 +1    18    17     8
  C     1.34363512 +1  144.8236475 +1   15.9276229 +1    18    17     8
  C     1.49076112 +1  119.5217242 +1   -6.1988054 +1    20    18    17
  C     1.43903457 +1  123.6349480 +1 -106.8536808 +1     8     1     2
  C     1.40974305 +1  103.8678407 +1  105.5084466 +1    11     1     2
  C     1.50724670 +1  119.1680744 +1 -161.6373344 +1    23    11     1
  H     1.11730593 +1  110.2147694 +1  132.5180265 +1    24    23    11
  C     1.49293630 +1  114.8221116 +1    8.5238861 +1    24    23    11
  H     1.09027773 +1  115.9926399 +1  169.3287659 +1    26    24    23
  C     1.34174819 +1  121.2040224 +1  -11.5565950 +1    26    24    23
  H     1.08767872 +1  123.3634269 +1 -175.8409293 +1    28    26    24
  C     1.29822995 +1  131.3514545 +1  -52.2416770 +1    11     1     2
  H     1.10920620 +1  117.3854127 +1  -26.8128048 +1    30    11     1
  C     1.11158028 +1   34.0020795 +1 -167.6158828 +1    17     8     1
  C     1.34803583 +1  114.4183050 +1  145.8211118 +1     9     1     2
  H     1.09859748 +1  115.8970300 +1   -5.3011298 +1    33     9     1
  C     1.39903481 +1  122.4697360 +1  173.9655999 +1    33     9     1
  H     1.08742966 +1  120.5462848 +1 -178.2861223 +1    35    33     9
  C     1.39373200 +1  118.4779359 +1    1.8644082 +1    35    33     9
  H     1.09077617 +1  120.3037854 +1  179.1605741 +1    37    35    33
  C     1.39447085 +1  119.3460306 +1   -0.4675937 +1    37    35    33
  C     1.34814173 +1  126.7196157 +1  -38.5320421 +1     9     1     2
  C     1.35404125 +1  120.8882376 +1  146.2922930 +1    10     1     2
  C     1.33100944 +1  116.1117992 +1  -32.9445997 +1    10     1     2
  C     1.44543092 +1  121.8069311 +1  172.8935315 +1    42    10     1
  C     1.35133312 +1  119.1346823 +1    4.3775832 +1    43    42    10
  C     1.48131272 +1  120.5522967 +1    2.4489589 +1    44    43    42
  H     1.09191208 +1  122.2576921 +1 -177.5751708 +1    44    43    42
  H     1.11208109 +1  118.0530015 +1   -6.4864235 +1    42    10     1
  O     1.21076370 +1  118.4109356 +1  172.1581025 +1    14     4     1
  H     1.10138955 +1  115.9251915 +1    5.5943292 +1    40     9     1
  H     1.08955591 +1  123.3522265 +1  171.3038037 +1    20    18    17
  H     1.10881771 +1  110.3920107 +1 -152.8508313 +1    21    20    18
  H     1.12965910 +1  109.2881948 +1   93.3768142 +1    21    20    18
  H     1.12034653 +1  108.9391510 +1 -112.4308894 +1    24    23    11
  H     1.08643221 +1  120.8351033 +1  178.7420224 +1    39    37    35
  H     1.12166095 +1  110.5069535 +1  114.4645350 +1    45    44    43
  H     1.09072752 +1  117.9487480 +1 -174.0497364 +1    43    42    10
  H     1.11653583 +1  111.7294000 +1 -132.2984207 +1    45    44    43