Accuracy

Nd_(PAPMIC) r   6678 Neodymium complex, CCDC: PAPMIC (Geo)

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    #  Species Formula
  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
  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


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: PAPMIC
 <Nd-O2> <Nd-O3> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.51226330 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.51260213 +1   53.5554992 +1    0.0000000 +0     1     2     0
  C     3.28366386 +1  121.5097155 +1  107.5627079 +1     1     2     3
  C     1.35915997 +1  125.7899607 +1   98.4119900 +1     4     1     2
  C     1.46362796 +1  108.6316628 +1   44.2886429 +1     5     4     1
  C     3.77358114 +1   77.1370365 +1  -88.1538088 +1     1     2     3
  C     1.41247498 +1   74.8786106 +1  -97.2706521 +1     7     1     2
  C     1.40870944 +1  108.1541313 +1  -71.9224142 +1     8     7     1
  C     1.41430176 +1  107.9266000 +1   -0.0831930 +1     9     8     7
  C     1.41326032 +1   78.9652850 +1  150.4790839 +1     7     1     2
 Nd     1.42189362 +1  100.2859582 +1   -3.6636647 +1     3     1     2
  C     1.36178701 +1  108.1145476 +1    0.1329078 +1     6     5     4
  C     1.48784346 +1   40.6689066 +1  177.9873472 +1     4     1     2
  C     4.04722436 +1   92.8699218 +1 -168.4038024 +1    12     3     1
  C     1.46355099 +1   82.9514909 +1  146.4959847 +1    15    12     3
  C     1.35394118 +1  109.3592861 +1  -86.1740380 +1    16    15    12
  C     1.50481296 +1  109.3488574 +1   -1.1075462 +1    17    16    15
  C     1.35932241 +1   89.2948899 +1   36.8201707 +1    15    12     3
  C     5.78069486 +1   91.3483031 +1   23.1648608 +1    12     3     1
  C     1.46209280 +1   67.0855813 +1  100.1472978 +1    20    12     3
  C     1.35387363 +1  109.1503059 +1   52.9870240 +1    21    20    12
  C     1.50593953 +1  109.4194062 +1   -0.5270065 +1    22    21    20
  C     1.35857735 +1   67.0521785 +1 -134.7740882 +1    20    12     3
  C     1.49435657 +1  123.3570999 +1  177.2363387 +1     6     5     4
  C     1.54113342 +1  107.9891799 +1  -67.6384642 +1    25     6     5
  C     1.53980168 +1  110.5180797 +1   51.9654324 +1    25     6     5
  C     1.53895380 +1  111.2493245 +1  172.6932726 +1    25     6     5
  C     1.49150177 +1  127.2631767 +1 -114.1859109 +1    11     7     1
  C     1.54270519 +1  111.6907684 +1   -0.3041577 +1    29    11     7
  C     1.54611181 +1  110.5599541 +1  120.5082427 +1    29    11     7
  C     1.54240972 +1  108.8789772 +1 -119.7608035 +1    29    11     7
  H     1.07058689 +1  127.0079273 +1  175.5751660 +1    13     6     5
  H     1.09080700 +1  110.1116798 +1  119.2637276 +1    14     4     1
  H     1.06894085 +1   98.2951540 +1  -49.7670839 +1     4     1     2
  H     1.06990286 +1  127.8524631 +1 -137.2634371 +1     5     4     1
  H     1.09445500 +1  111.2884432 +1 -178.5289940 +1    26    25     6
  H     1.09511260 +1  111.1556937 +1   60.8630863 +1    26    25     6
  H     1.09557328 +1  110.8758409 +1  -58.2556329 +1    26    25     6
  H     1.09556171 +1  110.9881690 +1 -176.5936559 +1    27    25     6
  H     1.09506553 +1  111.1820786 +1   63.6274428 +1    27    25     6
  H     1.09472306 +1  111.4637981 +1  -56.6472468 +1    27    25     6
  H     1.09512242 +1  111.3396126 +1  -58.3599840 +1    28    25     6
  H     1.09506321 +1  111.1143898 +1 -178.5554369 +1    28    25     6
  H     1.09545316 +1  111.2497654 +1   61.6843544 +1    28    25     6
  H     1.06144789 +1  116.8068523 +1   25.1513464 +1     7     1     2
  H     1.06427497 +1  125.4860022 +1  111.6309353 +1     8     7     1
  H     1.06431756 +1  126.2311856 +1 -173.7406047 +1     9     8     7
  H     1.06373311 +1  125.7672535 +1 -175.0842134 +1    10     9     8
  H     1.09341824 +1  111.1061139 +1 -178.2898418 +1    30    29    11
  H     1.09740379 +1  110.0747946 +1  -58.7339706 +1    30    29    11
  H     2.65814636 +1  141.2431674 +1   79.9444740 +1    30    29    11
  H     1.09194297 +1  111.3960227 +1  -67.5620889 +1    31    29    11
  H     1.09489376 +1  110.5947591 +1  173.4532528 +1    31    29    11
  H     1.09302057 +1  110.7412476 +1   54.8767255 +1    31    29    11
  H     1.09696013 +1  110.1212697 +1   56.1342722 +1    32    29    11
  H     1.09169219 +1  111.8765591 +1  177.0704195 +1    32    29    11
  H     1.09514489 +1  110.7827671 +1  -61.6348807 +1    32    29    11
  H     3.66504389 +1  100.5270407 +1 -100.0660666 +1     3     1     2
  H     2.32989148 +1  101.5733153 +1 -167.7237000 +1     2     1     3
  H     1.07026259 +1   99.2509098 +1  -91.2720075 +1    15    12     3
  H     1.07240556 +1  122.7131156 +1   96.5311082 +1    16    15    12
  H     1.07184560 +1  129.0164088 +1 -179.0935471 +1    17    16    15
  H     1.11078615 +1  111.0643894 +1 -117.7789250 +1    18    17    16
  C     1.49341518 +1  129.3380154 +1  -97.1328906 +1    19    15    12
  H     1.07503684 +1  133.3276782 +1  -13.3071490 +1    20    12     3
  H     1.07268353 +1  122.6498442 +1 -128.1442263 +1    21    20    12
  H     1.06766102 +1  129.0239877 +1  178.9774496 +1    22    21    20
  H     1.10349413 +1  112.1815029 +1  121.5549677 +1    23    22    21
  C     1.49449547 +1  127.5362265 +1  130.6341851 +1    24    20    12
  C     1.54018679 +1  109.0713074 +1 -123.4504036 +1    65    19    15
  C     1.53621351 +1  109.3857198 +1  116.6576200 +1    65    19    15
  C     1.53823056 +1  110.9241036 +1   -3.5255170 +1    65    19    15
  C     1.54008002 +1  110.8706591 +1  -51.3134067 +1    70    24    20
  C     1.53647357 +1  111.7838978 +1 -172.5840111 +1    70    24    20
  C     1.54289264 +1  107.1357492 +1   67.9639492 +1    70    24    20
  H     1.09677105 +1  110.7717230 +1  175.7974219 +1    71    65    19
  H     1.09501904 +1  111.6517123 +1  -64.7707109 +1    71    65    19
  H     1.09538456 +1  111.2461957 +1   56.0930293 +1    71    65    19
  H     1.09553037 +1  111.0898114 +1 -177.6220216 +1    72    65    19
  H     1.09986929 +1  112.2238180 +1  -58.4133689 +1    72    65    19
  H     1.09582365 +1  112.2508149 +1   62.5231532 +1    72    65    19
  H     1.09377139 +1  111.4697309 +1   62.5921783 +1    73    65    19
  H     1.09679911 +1  110.9354407 +1 -178.2719125 +1    73    65    19
  H     1.09538091 +1  111.4970551 +1  -58.4272812 +1    73    65    19
  H     1.09860198 +1  110.6457275 +1  157.5787752 +1    74    70    24
  H     1.09584424 +1  112.2342588 +1   38.5119581 +1    74    70    24
  H     1.09447825 +1  111.9156913 +1  -84.8644077 +1    74    70    24
  H     1.09571446 +1  111.8625322 +1   57.0704106 +1    75    70    24
  H     1.09730746 +1  111.0293636 +1  176.6757264 +1    75    70    24
  H     1.09376370 +1  111.8285377 +1  -63.4471261 +1    75    70    24
  H     1.09569166 +1  111.1511625 +1  -63.3030260 +1    76    70    24
  H     1.09483068 +1  111.2064880 +1  176.3990887 +1    76    70    24
  H     1.09496085 +1  111.2266894 +1   56.3189877 +1    76    70    24