Accuracy

Nd_(NIKLEY) r   6681 Neodymium complex, CCDC: NIKLEY (Geo)

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    #  Species Formula
  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
  6675 Neodymium complex, CCDC: YODYEV (Geo)C30H16N4O6Cl9Nd
  6676 Neodymium complex, CCDC: WIPLUC (Geo)C23H33NSiINd
  6677 Neodymium complex, CCDC: TAZJEJ (Geo)C52H62Nd2
  6678 Neodymium complex, CCDC: PAPMIC (Geo)C36H54O2Nd2
  6679 Neodymium complex, CCDC: JIRHAT (Geo)C38H58N12O2Nd2
  6680 Neodymium complex, CCDC: GUQFIH (Geo)C28H42O4Nd2
  6681 Neodymium complex, CCDC: NIKLEY (Geo) C46H46O4Nd2
  6682 Neodymium complex, CCDC: XIFMAA (Geo)C48H36N6O14Nd2
  6683 Neodymium complex, CCDC: QQQCGM01 (Geo)C36H32N6O16Nd2
  6684 Neodymium complex, CCDC: MOCDOX (Geo)C44H54O2S2Nd2
  6685 Neodymium complex, CCDC: SUQSEC (Geo)C28H52O4Cl2Nd2
  6686 Samarium complex, CCDC: NUQYUT (Geo)C30H48N6Sm
  6687 Samarium complex, CCDC: XEPLAF (Geo)C40H32N8Sm
  6688 Samarium complex, CCDC: YUBPAM (Geo)C80H62N8Sm
  6689 Samarium complex, CCDC: HARNUJ (Geo)C30H44B2N12Sm
  6690 Samarium complex, CCDC: JAQNOE (Geo)C24H28B3N16Sm
  6691 Samarium complex, CCDC: QOCKIC (Geo)C64H32N16Sm


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: NIKLEY
 <Nd-O2> <Nd-O3> <> <Nd-O4> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.53161826 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.53309233 +1   64.4586080 +1    0.0000000 +0     1     2     0
  O     2.61439722 +1   65.3545731 +1  164.2270110 +1     1     2     3
  O     2.85836334 +1  179.9969867 +1  -38.0816588 +1     3     1     2
  C     3.53016451 +1  124.2551822 +1   96.7202641 +1     1     2     3
  C     1.44459420 +1   88.4187407 +1   21.8590897 +1     6     1     2
  C     2.89618953 +1  119.1856110 +1 -113.6820229 +1     1     2     3
  C     1.45162277 +1  103.6502614 +1   19.0708804 +1     8     1     2
  C     1.37193452 +1  110.5713032 +1   89.7295800 +1     9     8     1
  C     1.44657775 +1  107.8487302 +1    7.1281814 +1    10     9     8
  C     1.43412974 +1  107.4063709 +1    0.2344398 +1    11    10     9
 Nd     2.17496669 +1  101.1882067 +1   -2.2527967 +1     3     1     2
  C     1.42791187 +1  107.5285589 +1  -74.7254333 +1     7     6     1
  C     1.39490064 +1  107.7055160 +1   -1.0078768 +1    14     7     6
  C     1.41962796 +1  109.7686298 +1    4.1317362 +1    15    14     7
  C     3.20887059 +1   90.7580874 +1  -86.8928444 +1    13     3     1
  C     1.42529248 +1   98.9079024 +1  113.9924426 +1    17    13     3
  C     1.38900988 +1  110.0181120 +1   81.1289294 +1    18    17    13
  C     1.43262351 +1  107.6091475 +1    5.5385543 +1    19    18    17
  C     1.44191788 +1  107.5117546 +1   -0.4743047 +1    20    19    18
  C     3.03896287 +1  127.2724226 +1  106.8872674 +1    13     3     1
  C     1.44024186 +1  102.2329364 +1  -18.3603600 +1    22    13     3
  C     1.37823234 +1  110.6684275 +1  -89.2430627 +1    23    22    13
  C     1.44078408 +1  107.6564048 +1   -5.9408961 +1    24    23    22
  C     1.44020259 +1  107.4438121 +1    1.2195592 +1    25    24    23
  C     1.40461912 +1  100.4427064 +1  141.7525099 +1     6     1     2
  C     1.38035997 +1  118.8720480 +1  -94.1249486 +1    27     6     1
  C     1.41227830 +1  121.3491465 +1   -1.2829148 +1    28    27     6
  C     1.38150191 +1  121.0389593 +1    0.1669306 +1    29    28    27
  C     1.39024579 +1  131.9873608 +1  177.3754729 +1    11    10     9
  C     1.39086164 +1  118.6852945 +1 -177.4412793 +1    31    11    10
  C     1.40154035 +1  120.8703805 +1    0.9385341 +1    32    31    11
  C     1.39034379 +1  121.2772614 +1   -0.6537003 +1    33    32    31
  C     1.44882309 +1  133.7424106 +1  159.1652210 +1     4     1     2
  C     1.52205708 +1  107.8782406 +1 -170.4531784 +1    35     4     1
  C     1.53769176 +1  106.2893638 +1   -2.7627126 +1    36    35     4
  C     1.44450138 +1  115.2676661 +1  -19.2124234 +1     4     1     2
  C     1.52224586 +1  115.1471681 +1 -179.1711250 +1     2     1     3
  H     1.06581281 +1  125.3011786 +1 -176.8841418 +1    14     7     6
  H     1.07010634 +1  125.4623548 +1 -174.0504901 +1    15    14     7
  H     1.06123555 +1  125.5247964 +1 -171.6087455 +1    16    15    14
  H     1.08535984 +1  120.0289169 +1   89.8636967 +1    27     6     1
  H     1.08804116 +1  120.1493516 +1  179.7578397 +1    28    27     6
  H     1.08591925 +1  118.6465454 +1 -177.0251390 +1    29    28    27
  H     1.08615976 +1  121.3819450 +1 -175.9381712 +1    30    29    28
  H     1.06338513 +1  103.9999444 +1 -108.5976672 +1     8     1     2
  H     1.07219925 +1  123.3642566 +1  -91.7870086 +1     9     8     1
  H     1.07033253 +1  127.9082506 +1 -176.1523844 +1    10     9     8
  H     1.08766412 +1  120.2418693 +1    2.1063405 +1    31    11    10
  H     1.08713983 +1  119.7856591 +1  179.2770810 +1    32    31    11
  H     1.08875816 +1  119.0553226 +1  178.1836722 +1    33    32    31
  H     1.08462664 +1  120.4725288 +1  175.8707371 +1    34    33    32
  H     1.10293996 +1  104.3030307 +1  -49.0396985 +1    35     4     1
  H     1.11002764 +1  104.3176054 +1   68.5916110 +1    35     4     1
  H     1.10782228 +1  111.4749822 +1 -123.7045056 +1    36    35     4
  H     1.10622414 +1  111.8032571 +1  118.3865266 +1    36    35     4
  H     1.11044500 +1  111.1276590 +1 -123.3771972 +1    37    36    35
  H     1.10613345 +1  111.0329223 +1  120.4154860 +1    37    36    35
  H     1.11716203 +1  104.5686958 +1  -70.7159851 +1    38     4     1
  H     1.10823758 +1  105.0101184 +1  164.5655680 +1    39     2     1
  H     1.10120190 +1  101.8783453 +1  -77.4314938 +1    39     2     1
  C     1.42540556 +1  157.8333890 +1  174.1479177 +1     5     3     1
  C     1.52925910 +1  108.1286101 +1   54.4562179 +1    63     5     3
  C     1.53951931 +1  105.7518171 +1    3.3577555 +1    64    63     5
  C     1.42685939 +1   58.8672543 +1 -114.8360091 +1     5     3     1
  C     1.43598402 +1  124.4370523 +1  168.2341805 +1     3     1     2
  H     1.10095920 +1  106.1565408 +1   26.4468589 +1    67     3     1
  H     1.10652095 +1  105.0312705 +1  -91.4965006 +1    67     3     1
  H     1.11337585 +1  105.2975358 +1   88.9978435 +1    66     5     3
  H     1.10630147 +1  111.1198771 +1  121.3507915 +1    65    64    63
  H     1.10427965 +1  110.8130877 +1 -121.9037408 +1    65    64    63
  H     1.10530529 +1  111.6921569 +1  124.3898686 +1    64    63     5
  H     1.10498266 +1  111.6043761 +1 -117.3894915 +1    64    63     5
  H     1.10384643 +1  104.8475137 +1  -67.0270437 +1    63     5     3
  H     1.10488698 +1  105.4317835 +1  176.0432794 +1    63     5     3
  H     1.07128466 +1  123.8417802 +1  -97.9202044 +1    18    17    13
  H     1.06060656 +1  101.6131364 +1  -14.2528236 +1    17    13     3
  C     1.39708312 +1  132.4988330 +1  177.9142328 +1    20    19    18
  C     1.38464773 +1  118.9932018 +1 -178.6162235 +1    79    20    19
  C     1.40886457 +1  121.0527430 +1    0.6754282 +1    80    79    20
  C     1.38354097 +1  121.1845619 +1   -0.2338982 +1    81    80    79
  H     1.08274411 +1  121.0339992 +1  175.8974197 +1    82    81    80
  H     1.08692023 +1  118.8103023 +1  178.4164250 +1    81    80    79
  H     1.08653587 +1  120.0201969 +1  179.4853836 +1    80    79    20
  H     1.08641437 +1  119.9421039 +1    1.0975190 +1    79    20    19
  H     1.07253610 +1  123.4657754 +1   92.5469818 +1    23    22    13
  H     1.06266642 +1  102.1155216 +1  109.0219567 +1    22    13     3
  C     1.39193965 +1  132.0421505 +1 -175.8717129 +1    25    24    23
  C     1.38983604 +1  118.8416196 +1  177.8999771 +1    89    25    24
  C     1.40302827 +1  120.8295775 +1   -0.6318041 +1    90    89    25
  C     1.38807459 +1  121.3209227 +1    0.4062859 +1    91    90    89
  H     1.08580108 +1  120.4825381 +1 -176.0760048 +1    92    91    90
  H     1.08895893 +1  119.0169610 +1 -178.0448805 +1    91    90    89
  H     1.08618340 +1  119.9607863 +1 -178.3287376 +1    90    89    25
  H     1.08641094 +1  120.0081753 +1   -0.6093981 +1    89    25    24
  H     1.06721567 +1  127.7968009 +1  176.9775503 +1    24    23    22
  H     1.06397127 +1  127.5546055 +1 -177.7211263 +1    19    18    17