Accuracy

Nd_(QOZWIL) r   6633 Neodymium complex, CCDC: QOZWIL (Geo)

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


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=+1
Neodymium complex, CCDC: QOZWIL
 <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     2.41950000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.44709996 +1   65.4446451 +1    0.0000000 +0     1     2     0
  O     2.45250010 +1  151.2814772 +1   44.2805450 +1     1     2     3
  O     2.46720016 +1  136.5862078 +1 -118.1167472 +1     1     2     3
  O     2.54210568 +1   86.8451545 +1 -153.7820401 +1     1     2     3
  O     2.55590044 +1   85.7968935 +1   58.8191546 +1     1     2     3
  O     3.73438593 +1  151.9303669 +1  158.2437514 +1     1     2     3
  O     3.35052541 +1   54.7084372 +1  -62.1714410 +1     1     2     3
  O     2.14058546 +1  127.5548342 +1  -40.5670357 +1     6     1     2
  O     2.14666929 +1  117.6212332 +1 -170.3345641 +1     7     1     2
  N     1.21284468 +1   34.1069365 +1 -178.4614493 +1    10     6     1
  N     1.24605694 +1   33.7957345 +1 -172.1527162 +1    11     7     1
  O     1.20445978 +1  128.9465167 +1  178.6833352 +1    12    10     6
  O     1.19425879 +1  126.5985772 +1 -178.5424369 +1    13    11     7
  H     1.03407489 +1  105.7250110 +1  -41.1352837 +1     5     1     2
  H     0.99623716 +1  118.3452032 +1 -146.7370940 +1     2     1     3
  H     0.98139826 +1  149.3244695 +1 -163.6273459 +1     9     1     2
  H     1.01862356 +1  106.5024978 +1  103.9753206 +1     3     1     2
  H     1.07287234 +1  111.9294770 +1   13.6349678 +1     4     1     2
  H     0.98284632 +1  133.7601470 +1   48.5693288 +1     8     1     2
  C     1.47990892 +1  135.9478876 +1   41.8416465 +1     2     1     3
  H     1.11526719 +1  103.1260424 +1  113.8652745 +1    22     2     1
  C     1.40919938 +1   94.6671992 +1   42.6899563 +1     9     1     2
  H     1.11912792 +1  109.9909567 +1 -179.0231988 +1    24     9     1
  C     1.44655853 +1  138.2732509 +1  -44.6011586 +1     3     1     2
  H     1.11159404 +1  103.6877510 +1 -112.1448266 +1    26     3     1
  C     1.52477636 +1  109.4747193 +1  125.5423669 +1    26     3     1
  H     1.10949828 +1  110.5554752 +1  176.2324716 +1    28    26     3
  H     1.11201420 +1  110.7252317 +1   61.4357310 +1    28    26     3
  C     1.53328808 +1  110.7835566 +1  -60.7562302 +1    28    26     3
  H     1.11080545 +1  109.8264008 +1 -179.0133242 +1    31    28    26
  H     1.11194845 +1  110.2283469 +1   66.0735828 +1    31    28    26
  C     1.52138899 +1  107.6587362 +1 -124.6176247 +1    22     2     1
  H     1.11179696 +1  110.7778107 +1  -56.0142275 +1    34    22     2
  H     1.11180046 +1  109.9494739 +1 -170.6788791 +1    34    22     2
  C     1.43552225 +1  139.8383901 +1 -174.1182886 +1     4     1     2
  H     1.11682171 +1  105.3156449 +1 -140.6317791 +1    37     4     1
  C     1.40827115 +1   85.2664024 +1  163.8442174 +1     8     1     2
  H     1.12058038 +1  109.2883825 +1  179.4287841 +1    39     8     1
  C     1.44451535 +1  138.0031035 +1  172.3742649 +1     5     1     2
  H     1.11542002 +1  105.1014775 +1  150.5535686 +1    41     5     1
  C     1.52527492 +1  108.3742175 +1  -90.1170856 +1    41     5     1
  H     1.11070381 +1  109.4551790 +1  -49.6034093 +1    43    41     5
  H     1.11184708 +1  108.6147061 +1 -163.8242289 +1    43    41     5
  C     1.53165836 +1  114.0498018 +1   73.5314924 +1    43    41     5
  H     1.11185818 +1  109.0428739 +1  171.3009188 +1    46    43    41
  H     1.10259536 +1  110.5766866 +1  -74.0024730 +1    46    43    41
  C     1.52699881 +1  108.4547996 +1   98.2332254 +1    37     4     1
  H     1.11076796 +1  109.5192207 +1   56.0079111 +1    49    37     4
  H     1.10858499 +1  109.9161994 +1  170.8783491 +1    49    37     4