Accuracy

Nd_(HODDEJ) r   6664 Neodymium complex, CCDC: HODDEJ (Geo)

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    #  Species Formula
  6654 Neodymium complex, CCDC: OFONUS (Geo)C45H54N3O3Si3Nd
  6655 Neodymium complex, CCDC: WOFMOT (Geo)C36H69Si6Nd
  6656 Neodymium complex, CCDC: IMACAA (Geo)C31H71OSi6Nd
  6657 Neodymium complex, CCDC: YIBSIL (Geo)C20H58N3O2Si6Nd
  6658 Neodymium complex, CCDC: RAMXAE (Geo)C33H31N4O12P2Nd
  6659 Neodymium complex, CCDC: DODVAT (Geo)C36H44N5O13P2Nd
  6660 Neodymium complex, CCDC: HERWAC (Geo)C18H42N5O18P2Nd
  6661 Neodymium complex, CCDC: JACPIM (Geo)C36H78O3P3Nd
  6662 Neodymium complex, CCDC: QUBWOZ (Geo)C12H32N3O23P4Nd
  6663 Neodymium complex, CCDC: AGUFOX (Geo)C72H60N3P6Nd
  6664 Neodymium complex, CCDC: HODDEJ (Geo) C39H31OSNd
  6665 Neodymium complex, CCDC: TAZYOI (Geo)C7H20NO11SNd
  6666 Neodymium complex, CCDC: MOCFAL (Geo)C29H32NOS2Nd
  6667 Neodymium complex, CCDC: QOZWAD (Geo)C14H26O13F6S2Nd
  6668 Neodymium complex, CCDC: MINLIE (Geo)C74H60O10F6P4S2Nd
  6669 Neodymium complex, CCDC: FAHFID (Geo)C48H40N3O13S4Nd
  6670 Neodymium complex, CCDC: ELENOY (Geo)C34H58ClNd
  6671 Neodymium complex, CCDC: WAGWIK (Geo)C18H28N2ClNd
  6672 Neodymium complex, CCDC: NUFPUZ (Geo)C26H28O2ClNd
  6673 Neodymium complex, CCDC: AGUVIH (Geo)C28H30O2ClNd
  6674 Neodymium complex, CCDC: BOKPEW (Geo)C22H42Si4Cl2Nd


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: HODDEJ
 <Nd-O2> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.55754478 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     3.61811229 +1  100.5035359 +1    0.0000000 +0     1     2     0
  C     1.44991339 +1   49.9300500 +1 -111.1597737 +1     3     1     2
  C     2.28319083 +1   84.8637365 +1  -37.8465128 +1     3     1     2
  C     1.43374608 +1   72.2098398 +1  -55.8533095 +1     5     3     1
  C     2.60432181 +1  105.0011890 +1   98.3128220 +1     1     2     3
  C     1.47444208 +1  110.0814738 +1 -164.8171080 +1     7     1     2
  C     1.36257013 +1  111.1812721 +1  103.8520659 +1     8     7     1
  C     1.47047075 +1  104.8570060 +1  -54.0380911 +1     7     1     2
  C     1.42735442 +1  108.8068272 +1 -107.3893691 +1    10     7     1
  C     2.76325960 +1   99.9908833 +1 -130.5336819 +1     1     2     3
  C     1.46205937 +1  106.0566042 +1 -155.0775987 +1    12     1     2
  C     1.36935720 +1  110.7587520 +1  102.1026921 +1    13    12     1
  C     1.45453712 +1  104.8313035 +1  -44.9906296 +1    12     1     2
  C     1.43085529 +1  108.6620847 +1 -103.0033276 +1    15    12     1
  C     1.37181492 +1  104.9509271 +1   -6.3328426 +1     3     1     2
  H     1.06544874 +1  127.8720357 +1  125.9068148 +1    17     3     1
  H     1.07293061 +1  112.7732417 +1  132.1655751 +1     3     1     2
  H     1.06654016 +1  121.1732129 +1 -116.4862786 +1     4     3     1
  C     1.39259694 +1  119.7945806 +1 -176.4180549 +1     6     5     3
  H     1.08478241 +1  120.8111491 +1  178.1108502 +1    21     6     5
  C     1.39064770 +1  118.7975900 +1    1.8321439 +1    21     6     5
  H     1.08792514 +1  119.6009326 +1  176.8075281 +1    23    21     6
  C     1.40122938 +1  121.2437324 +1   -0.3344838 +1    23    21     6
  H     1.08597878 +1  119.6165062 +1  177.7154981 +1    25    23    21
  C     1.39197254 +1  120.7770896 +1   -1.2247672 +1    25    23    21
  H     1.08526095 +1  120.7057332 +1 -179.3475247 +1    27    25    23
  H     1.07379139 +1  104.9640042 +1   69.1087304 +1     7     1     2
  H     1.07283999 +1  122.2366944 +1  -81.7716582 +1     8     7     1
  H     1.06956953 +1  128.4193452 +1 -177.6520668 +1     9     8     7
  C     1.38577963 +1  120.8401904 +1  174.7598857 +1    11    10     7
  H     1.08714582 +1  120.8827874 +1  179.9118748 +1    32    11    10
  C     1.39624364 +1  118.5387321 +1    1.5474418 +1    32    11    10
  H     1.08761109 +1  119.6285879 +1 -179.4350533 +1    34    32    11
  C     1.39625771 +1  120.7025815 +1    1.1680830 +1    34    32    11
  H     1.08782575 +1  119.3174682 +1  177.6418045 +1    36    34    32
  C     1.39551546 +1  121.2489181 +1   -2.5257891 +1    36    34    32
  H     1.08337136 +1  120.1153272 +1  177.3400910 +1    38    36    34
  H     1.06944864 +1  101.5727970 +1   79.4216033 +1    12     1     2
  H     1.07249781 +1  123.0133570 +1  -83.8227222 +1    13    12     1
  H     1.06825190 +1  128.2091509 +1 -177.5770613 +1    14    13    12
  C     1.38733189 +1  120.7147115 +1  176.4533472 +1    16    15    12
  H     1.08677819 +1  120.7102213 +1  178.8250567 +1    43    16    15
  C     1.39328006 +1  118.6914020 +1    0.9826375 +1    43    16    15
  H     1.08630645 +1  119.8591190 +1  179.5894353 +1    45    43    16
  C     1.39930748 +1  120.6602383 +1    0.6255782 +1    45    43    16
  H     1.08720521 +1  119.2383799 +1  178.5072568 +1    47    45    43
  C     1.39218221 +1  121.3242509 +1   -1.5847706 +1    47    45    43
  H     1.08473506 +1  120.2962174 +1  178.0140940 +1    49    47    45
  S     1.53795008 +1  179.9970149 +1 -146.6899702 +1     2     1     3
  C     1.77240645 +1  100.8781659 +1  144.5980208 +1    51     2     1
  C     1.39419445 +1  116.9279652 +1  -49.9088042 +1    52    51     2
  H     1.09692863 +1  121.7475762 +1   -0.5499779 +1    53    52    51
  C     1.39299438 +1  119.7216152 +1  179.7810376 +1    53    52    51
  H     1.09131703 +1  119.8597718 +1 -178.6188247 +1    55    53    52
  C     1.39440224 +1  119.9057644 +1    0.2926568 +1    55    53    52
  H     1.09158542 +1  120.0399616 +1 -178.8957966 +1    57    55    53
  C     1.39571649 +1  120.0344023 +1    0.6585537 +1    57    55    53
  H     1.09007743 +1  119.9052279 +1  179.6580185 +1    59    57    55
  C     1.39296526 +1  120.2513662 +1   -1.7031476 +1    59    57    55
  H     1.09247743 +1  118.6766742 +1 -178.2608687 +1    61    59    57
  C     1.77372389 +1  100.4584024 +1 -108.5133244 +1    51     2     1
  C     1.39436896 +1  117.9910497 +1  116.3902049 +1    63    51     2
  H     1.09239176 +1  121.5750941 +1    7.0693105 +1    64    63    51
  C     1.39368262 +1  119.7590301 +1 -173.0102863 +1    64    63    51
  H     1.08978532 +1  120.0272956 +1 -179.5381438 +1    66    64    63
  C     1.39483147 +1  120.0428658 +1    1.3493210 +1    66    64    63
  H     1.09218612 +1  119.8820986 +1  178.3121446 +1    68    66    64
  C     1.39293786 +1  120.0943204 +1   -0.9605004 +1    68    66    64
  H     1.09179365 +1  120.3223321 +1  179.1472462 +1    70    68    66
  C     1.39254842 +1  119.9029130 +1    0.6337987 +1    70    68    66
  H     1.09892777 +1  118.7210869 +1  179.1789643 +1    72    70    68