Accuracy

Nd_(MOCDOX) r   6684 Neodymium complex, CCDC: MOCDOX (Geo)

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    #  Species Formula
  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
  6692 Samarium complex, CCDC: QIHKAT (Geo)C35H48B2N13OSm
  6693 Samarium complex, CCDC: XEXJAL (Geo)C27H27N4O3Sm
  6694 Samarium complex, CCDC: ZALDUL (Geo)C57H75N6O3Sm


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: MOCDOX
 <Nd-O2> <Nd-O3> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.66477260 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     5.87630961 +1  121.1896507 +1    0.0000000 +0     1     2     0
  C     4.04060464 +1   70.5251717 +1  -99.4623242 +1     1     2     3
  C     1.43485891 +1   69.5769097 +1  176.0006525 +1     4     1     2
  C     1.39265351 +1  108.2775818 +1  -96.9550526 +1     5     4     1
  C     4.44529047 +1   87.6071420 +1  114.6784073 +1     1     2     3
  C     1.47655323 +1   77.8574872 +1  -86.6558658 +1     7     1     2
  C     1.34895696 +1  109.2092945 +1  -82.3139409 +1     8     7     1
  C     1.51700724 +1  109.5306194 +1   -1.2141018 +1     9     8     7
  C     1.51695394 +1  102.6541139 +1    1.1209624 +1    10     9     8
  C     1.42706896 +1  107.8209284 +1   -1.4997558 +1     6     5     4
 Nd     3.88720919 +1   44.6023046 +1   48.0445665 +1     3     1     2
  S     3.80671763 +1   75.4129872 +1   17.4337221 +1     1     2     3
  S     4.52935382 +1   16.5946407 +1  136.5268656 +1    14     1     2
  C     3.93411877 +1   71.2996632 +1  104.1325394 +1    13     3     1
  C     1.41009676 +1   76.3843927 +1   42.6340736 +1    16    13     3
  C     1.41337540 +1  107.8209971 +1   69.7363181 +1    17    16    13
  C     1.41007424 +1  108.0032833 +1   -0.3939073 +1    18    17    16
  C     1.41127618 +1   75.1538272 +1  156.1721619 +1    16    13     3
  C     4.72574111 +1   62.0657770 +1  -92.9105784 +1    13     3     1
  C     1.46871993 +1   68.5947549 +1   27.0615747 +1    21    13     3
  C     1.35705547 +1  107.9915927 +1  145.9130960 +1    22    21    13
  C     1.50397409 +1  108.0191762 +1    0.0801522 +1    23    22    21
  C     1.37186311 +1  108.0767280 +1   -0.8975723 +1    24    23    22
  C     1.42759068 +1  107.7873965 +1    1.8813212 +1    12     6     5
  C     1.45644713 +1  126.1078445 +1 -175.1117560 +1    12     6     5
  C     1.47432711 +1  102.5544663 +1   34.6729633 +1     7     1     2
  C     1.75182900 +1   91.9585255 +1  -37.8151243 +1    14     1     2
  C     1.40140290 +1  119.1391742 +1  131.2038002 +1    29    14     1
  C     1.38986220 +1  119.7442827 +1  177.6301932 +1    30    29    14
  C     1.39547238 +1  120.4296962 +1    0.6527020 +1    31    30    29
  C     1.39174216 +1  119.5420629 +1   -0.3183802 +1    32    31    30
  C     1.39745557 +1  120.7441429 +1  -51.3020219 +1    29    14     1
  C     1.44495996 +1  122.8861230 +1  -70.6725849 +1     2     1     3
  C     1.52493455 +1  107.7673002 +1 -179.1585267 +1    35     2     1
  C     1.53601288 +1  103.9125896 +1  -22.7421684 +1    36    35     2
  C     1.44330731 +1  126.3356492 +1   96.1685820 +1     2     1     3
  H     1.06559882 +1  125.0352679 +1 -178.5312889 +1    26    12     6
  H     1.06470535 +1   98.5530109 +1  -59.7708636 +1     4     1     2
  H     1.06523669 +1  124.9987836 +1   86.4983411 +1     5     4     1
  H     1.06494469 +1  126.8957278 +1 -178.8631458 +1     6     5     4
  H     1.09974209 +1  112.6677562 +1  151.7210720 +1    27    12     6
  H     1.09832967 +1  112.4697674 +1   29.0698891 +1    27    12     6
  H     1.12821031 +1  109.6698342 +1  -90.1069368 +1    27    12     6
  H     1.07310248 +1  122.1985645 +1   98.2755729 +1     8     7     1
  H     1.07546732 +1  129.8695453 +1 -177.8129820 +1     9     8     7
  H     1.12124930 +1  108.7915712 +1 -114.7844302 +1    10     9     8
  H     1.06732720 +1  121.9116500 +1 -179.9559837 +1    11    10     9
  H     1.10060779 +1  112.2225116 +1   79.9607418 +1    28     7     1
  H     1.10013190 +1  111.7993580 +1  -40.2180632 +1    28     7     1
  H     1.10256666 +1  111.1401712 +1 -160.0905426 +1    28     7     1
  H     1.08693386 +1  120.1338548 +1   -2.3285533 +1    30    29    14
  H     1.08972069 +1  119.6997661 +1 -179.4725029 +1    31    30    29
  H     1.08727768 +1  120.1943524 +1  179.7765852 +1    32    31    30
  H     1.09186578 +1  119.8095803 +1  179.1177879 +1    33    32    31
  H     1.08540763 +1  120.8438610 +1   -0.0839632 +1    34    29    14
  H     1.10765696 +1  105.4307257 +1   60.4154807 +1    35     2     1
  H     1.09985859 +1  104.5327597 +1  -57.3607210 +1    35     2     1
  H     1.10272450 +1  111.8522493 +1 -143.2910246 +1    36    35     2
  H     1.10340926 +1  111.8547051 +1   97.3974723 +1    36    35     2
  H     1.10075971 +1  112.1602158 +1  146.2555453 +1    37    36    35
  H     1.10884959 +1  110.6695470 +1  -95.3279413 +1    37    36    35
  H     1.10305250 +1  104.7889204 +1   74.2680273 +1    38     2     1
  H     1.10723226 +1  105.1318884 +1  -43.4549126 +1    38     2     1
  H     1.06222044 +1  125.8318496 +1 -114.3416732 +1    17    16    13
  C     1.48185830 +1  117.3204752 +1  -80.2551528 +1    16    13     3
  H     1.10248300 +1  109.6638000 +1  158.9619256 +1    67    16    13
  H     1.09541162 +1  111.8510226 +1  -83.1205379 +1    67    16    13
  H     1.09523242 +1  112.3772453 +1   40.4826638 +1    67    16    13
  H     1.06292466 +1  125.9745841 +1  175.5332725 +1    19    18    17
  H     1.06230706 +1  126.3306728 +1  115.1512293 +1    20    16    13
  H     1.07720775 +1  123.8034167 +1  -33.2992820 +1    22    21    13
  C     1.44071320 +1   67.8143616 +1 -120.3446308 +1    21    13     3
  H     1.13332888 +1  109.1188471 +1  -49.3061973 +1    74    21    13
  H     1.10336577 +1  114.4659483 +1   66.0581364 +1    74    21    13
  H     1.10230508 +1  114.7229244 +1 -166.4098517 +1    74    21    13
  H     1.07639224 +1  123.3524746 +1  174.9892441 +1    24    23    22
  H     1.07480080 +1  127.6576807 +1 -178.4412589 +1    25    24    23
  C     1.69398754 +1  133.8982919 +1 -179.6409186 +1    15    14     1
  C     1.43257678 +1  119.1803930 +1 -169.0548378 +1    80    15    14
  C     1.35709881 +1  120.8060066 +1  162.0915524 +1    81    80    15
  C     1.44288661 +1  121.1329785 +1    1.2438465 +1    82    81    80
  C     1.34636910 +1  120.3401044 +1    5.6618072 +1    83    82    81
  C     1.49187644 +1  121.4590872 +1    6.3351338 +1    80    15    14
  H     1.13672709 +1  108.7444266 +1  -35.9185944 +1    85    80    15
  H     1.09572621 +1  122.2693515 +1  178.7706780 +1    84    83    82
  H     1.09269581 +1  117.7889185 +1 -174.7883697 +1    83    82    81
  H     1.09682081 +1  121.0619969 +1 -178.0340775 +1    82    81    80
  H     1.09675765 +1  117.5923021 +1  -15.4105832 +1    81    80    15
  H     1.07481404 +1  128.7529103 +1  179.6623608 +1    23    22    21
  H     1.06258136 +1  125.8217184 +1  175.3932758 +1    18    17    16
  C     1.42344273 +1   78.0001596 +1  175.5248505 +1     3     1     2
  C     1.53229654 +1  107.4981149 +1  176.9224459 +1    93     3     1
  C     1.54005520 +1  104.4021068 +1   20.0694833 +1    94    93     3
  C     1.42506141 +1  158.5703529 +1   61.7313998 +1     3     1     2
  H     1.10026734 +1  104.5200523 +1 -112.9395492 +1    96     3     1
  H     1.10537745 +1  106.8792773 +1    4.3745517 +1    96     3     1
  H     1.10047062 +1  111.4271197 +1 -130.6696932 +1    95    94    93
  H     1.10438783 +1  111.1389140 +1  111.0127543 +1    95    94    93
  H     1.10198925 +1  111.8409148 +1  140.9095866 +1    94    93     3
  H     1.10159345 +1  111.5832135 +1  -99.9999401 +1    94    93     3
  H     1.10472322 +1  107.3848151 +1  -62.3316915 +1    93     3     1
  H     1.10075809 +1  104.5180003 +1   55.3878534 +1    93     3     1