Accuracy

Nd_(QUBWOZ) r   6662 Neodymium complex, CCDC: QUBWOZ (Geo)

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    #  Species Formula
  6652 Neodymium complex, CCDC: YOGRIV (Geo)C31H50N3OSi3Nd
  6653 Neodymium complex, CCDC: OFONIG (Geo)C30H48N3O3Si3Nd
  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


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: QUBWOZ
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O4> <> <> <Nd-O6> <> <> <> <> <> <Nd-O8> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.43804254 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.43809975 +1   87.6410524 +1    0.0000000 +0     1     2     0
  O     2.47759972 +1  133.6581867 +1  -39.2779747 +1     1     2     3
  O     2.47760036 +1   70.7160802 +1 -151.7784859 +1     1     2     3
  O     2.53350000 +1  132.8441192 +1  176.4663303 +1     1     2     3
  O     2.15073255 +1  118.7502329 +1  111.6636654 +1     6     1     2
  O     2.59094385 +1  109.9179484 +1   71.2525236 +1     1     2     3
  O     5.29653163 +1   50.8122761 +1  -56.7892149 +1     1     2     3
  O     2.15503672 +1  110.1924708 +1 -144.0031309 +1     8     1     2
  O     2.16459743 +1   54.5628782 +1  -87.8021658 +1     9     1     2
  N     1.28634730 +1  145.7486417 +1   92.0258611 +1     6     1     2
  N     1.27782178 +1  134.7303071 +1 -121.4650532 +1     8     1     2
  N     1.20796955 +1   76.7059241 +1  -55.6940701 +1     9     1     2
  O     1.21924100 +1  118.4644756 +1 -143.2517996 +1    12     6     1
  O     1.21561979 +1  119.5759464 +1  135.0690810 +1    13     8     1
  O     1.20106103 +1  130.1302884 +1  137.0647824 +1    14     9     1
  O     2.69987229 +1  138.4615226 +1  101.2150428 +1    11     9     1
  O     2.68392926 +1  121.3758034 +1   57.2109339 +1    10     8     1
  O     2.66917067 +1  145.5518381 +1  -98.3193977 +1     5     1     2
  H     1.03111383 +1    4.0437631 +1   30.6803994 +1    19    10     8
  P     1.65967324 +1  167.5989403 +1   65.1788662 +1     4     1     2
  P     1.67307487 +1  168.4278402 +1 -140.8288809 +1     3     1     2
  C     1.36819541 +1  120.4761520 +1  -41.4752641 +1    19    10     8
  C     1.54785817 +1  105.4703790 +1 -172.5050613 +1    24    19    10
  H     1.10170649 +1  114.0201736 +1  178.9604210 +1    25    24    19
  H     1.10521732 +1  111.0304671 +1   57.0240203 +1    25    24    19
  H     1.10485525 +1  111.3072963 +1  -58.9022556 +1    25    24    19
  C     2.63182815 +1   95.6916417 +1 -137.0949274 +1    22     4     1
  H     1.09847238 +1   99.6257410 +1 -107.1980637 +1    29    22     4
  H     1.10603553 +1  129.5151313 +1  126.2741762 +1    29    22     4
  H     1.10089526 +1   95.7540011 +1    4.7202752 +1    29    22     4
  C     2.61332345 +1   81.4877005 +1  116.6035151 +1    22     4     1
  H     1.10370997 +1   98.7467243 +1  -66.3586302 +1    33    22     4
  H     1.10485519 +1  129.1787031 +1  167.7815123 +1    33    22     4
  H     1.10375859 +1   96.2316392 +1   44.9108944 +1    33    22     4
  C     2.61733995 +1   90.4083982 +1  108.9538503 +1    23     3     1
  H     1.10723158 +1  127.4192274 +1 -111.2910056 +1    37    23     3
  H     1.09721614 +1  104.9966581 +1  115.8636034 +1    37    23     3
  H     1.10507155 +1   92.0208243 +1    4.2046530 +1    37    23     3
  C     2.64780223 +1   92.2280509 +1 -134.3965668 +1    23     3     1
  H     1.10586372 +1  128.2026145 +1 -138.9053481 +1    41    23     3
  H     1.10109189 +1  100.1005371 +1   95.1339820 +1    41    23     3
  H     1.10156893 +1   96.6604784 +1  -16.8040959 +1    41    23     3
  O     1.44699204 +1   31.6397279 +1  133.4779660 +1    29    22     4
  P     1.65160440 +1  177.0402631 +1  -24.2114675 +1     5     1     2
  O     2.65575857 +1  143.8986975 +1 -144.5687543 +1     2     1     3
  C     1.44960678 +1   92.8563897 +1  -39.5809968 +1    20     5     1
  H     1.09937851 +1  110.6938472 +1 -106.4798535 +1    48    20     5
  H     1.10386056 +1   98.5795093 +1  137.2280445 +1    48    20     5
  H     1.10457234 +1  116.8877664 +1   19.6478035 +1    48    20     5
  O     1.45429158 +1   32.3466522 +1 -138.7166189 +1    37    23     3
  C     2.63679497 +1   89.4929159 +1  173.3934258 +1    46     5     1
  H     1.10129850 +1   98.0950586 +1  -18.9163510 +1    53    46     5
  H     1.10493326 +1  129.0219337 +1 -143.7426165 +1    53    46     5
  H     1.10055296 +1   97.8751281 +1   92.2533785 +1    53    46     5
  C     1.19728759 +1  136.2315469 +1 -102.3001346 +1    18    11     9
  O     2.67176216 +1   59.5951391 +1  145.7918055 +1    47     2     1
  H     1.69643963 +1    1.4458758 +1  124.3278736 +1    18    11     9
  P     1.74304513 +1  177.3826900 +1  115.6121539 +1     2     1     3
  O     1.45971852 +1   32.4612011 +1  173.0836252 +1    33    22     4
  C     1.42516544 +1   93.7479031 +1   33.1106265 +1    47     2     1
  H     1.10319560 +1  100.4452487 +1 -164.8720932 +1    62    47     2
  H     1.09638204 +1  114.2641046 +1   78.1511348 +1    62    47     2
  H     1.09775090 +1  111.8141370 +1  -47.8928409 +1    62    47     2
  O     1.44929027 +1   30.8249282 +1 -146.2255883 +1    41    23     3
  C     1.42877706 +1  113.7927685 +1  -75.6566795 +1    58    47     2
  H     1.09753632 +1  110.1900415 +1  -47.8617055 +1    67    58    47
  H     1.10367775 +1  100.2920958 +1 -164.2451749 +1    67    58    47
  H     1.09751532 +1  115.9333107 +1   78.2599068 +1    67    58    47
  C     1.48707104 +1  125.5375731 +1  126.3618137 +1    57    18    11
  H     1.11684959 +1  111.8512335 +1 -116.3394492 +1    71    57    18
  H     1.10159415 +1  114.3364718 +1  122.1076579 +1    71    57    18
  H     1.10948288 +1  110.0058872 +1   -0.2294573 +1    71    57    18
  O     1.45028801 +1   31.2762652 +1 -142.4682700 +1    53    46     5