Accuracy

Sm_(HARNUJ) r   6689 Samarium complex, CCDC: HARNUJ (Geo)

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    #  Species Formula
  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
  6695 Samarium complex, CCDC: NAFKIO (Geo)C44H67O5Sm
  6696 Samarium complex, CCDC: XAXYAW (Geo)C40H67N2O6Sm
  6697 Samarium complex, CCDC: QIPQOV (Geo)C21H27N3O6Sm
  6698 Samarium complex, CCDC: CAZHAM (Geo)C15H25O8Sm
  6699 Samarium complex, CCDC: YEYLAP (Geo)C37H67O8Sm


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 CHARGE=1.0
Samarium complex, CCDC: HARNUJ
 <Sm-N2> <Sm-N3> <> <Sm-N4> <> <> <Sm-N5> <> <> <Sm-N6> <> <> <Sm-N7> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.61689997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.61691170 +1  180.1756007 +1    0.0000000 +0     1     2     0
  N     2.61711746 +1  103.7162458 +1   21.9010210 +1     1     2     3
  N     2.61720002 +1   76.0119616 +1 -179.8725406 +1     1     2     4
  N     2.61725626 +1  103.9074121 +1  101.1082375 +1     1     2     5
  N     2.61730026 +1   76.0969690 +1  -78.7839702 +1     1     2     5
  N     1.38022292 +1  119.2375436 +1  140.3580342 +1     6     1     2
  C     1.38538751 +1  134.3819027 +1  140.5537236 +1     3     1     4
  C     1.40410735 +1  109.8000981 +1 -179.7158610 +1     9     3     1
  C     1.41396211 +1  105.5617205 +1   -0.0170519 +1    10     9     3
  C     1.47483676 +1  122.1548532 +1    0.5189788 +1     9     3     1
  C     1.47370431 +1  127.8786815 +1 -179.9637290 +1    11    10     9
  B     1.55756463 +1  121.6629542 +1    0.0088411 +1     8     6     1
  N     1.38022747 +1  119.2845465 +1   39.5287050 +1     7     1     2
  N     1.38022343 +1  119.2542106 +1 -140.5472269 +1     4     1     2
  N     1.36644357 +1  108.0182656 +1    0.0201011 +1    11    10     9
  C     1.38534792 +1  134.3411414 +1   38.9055262 +1     2     1     4
  C     1.38537484 +1  134.4018779 +1  -39.6005781 +1     6     1     2
  N     1.38034638 +1  119.2508358 +1  -39.2123593 +1     5     1     2
  C     1.38532702 +1  134.3429489 +1 -140.8066968 +1     7     1     2
  C     1.38539299 +1  134.3790704 +1   39.0249506 +1     4     1     2
  N     1.38028635 +1  119.2862491 +1 -140.3126838 +1     2     1     4
  C     1.38532037 +1  134.3843733 +1  140.2925034 +1     5     1     2
  C     1.36637955 +1  110.2575706 +1 -179.9555368 +1     8     6     1
  C     1.36645430 +1  110.2533129 +1  179.6410236 +1    16     4     1
  C     1.36644240 +1  110.2493109 +1  179.3281692 +1    23     2     1
  B     1.55751154 +1  121.6285772 +1   -0.6970342 +1    23     2     1
  C     1.41396003 +1  108.0227571 +1    0.0536491 +1    27    23     2
  C     1.47474242 +1  122.1395388 +1    0.6232671 +1    18     2     1
  C     1.41395509 +1  108.0225188 +1   -0.0060938 +1    25     8     6
  C     1.47481544 +1  122.1483762 +1    0.2033769 +1    19     6     1
  C     1.36649043 +1  110.2489832 +1  179.7121913 +1    15     7     1
  C     1.41395931 +1  108.0221039 +1    0.0081192 +1    33    15     7
  C     1.47477424 +1  122.1248896 +1    0.1987997 +1    21     7     1
  C     1.41397190 +1  108.0199486 +1    0.0378298 +1    26    16     4
  C     1.47481479 +1  122.1594939 +1    0.7411677 +1    22     4     1
  C     1.36647447 +1  110.2525445 +1  179.5956450 +1    20     5     1
  C     1.41393869 +1  108.0238407 +1    0.0235224 +1    38    20     5
  C     1.47474913 +1  122.1299346 +1    0.3391752 +1    24     5     1
  C     1.47371937 +1  124.1158047 +1 -179.9955942 +1    25     8     6
  C     1.47372058 +1  124.1034731 +1 -179.9840709 +1    26    16     4
  C     1.47382722 +1  124.1021984 +1  179.9888084 +1    27    23     2
  C     1.47381718 +1  124.1000872 +1  179.9648161 +1    33    15     7
  C     1.47382270 +1  124.1094755 +1 -179.9967553 +1    38    20     5
  H     1.23131733 +1  106.2571992 +1  179.9875178 +1    14     8     6
  H     1.06691764 +1  127.7135275 +1  179.9820811 +1    10     9     3
  H     1.10524015 +1  111.1910199 +1 -171.7189677 +1    12     9     3
  H     1.10265402 +1  112.3140796 +1   69.9123544 +1    12     9     3
  H     1.10032748 +1  113.3231262 +1  -52.4657663 +1    12     9     3
  H     1.10632313 +1  111.0316305 +1   -0.7419851 +1    13    11    10
  H     1.10270798 +1  112.4658508 +1 -119.7825526 +1    13    11    10
  H     1.10287733 +1  112.3621299 +1  118.2426969 +1    13    11    10
  H     1.23138203 +1  106.2553051 +1 -179.5344677 +1    28    23     2
  H     1.06686805 +1  126.7430192 +1 -179.9799601 +1    29    27    23
  H     1.10518422 +1  111.2040431 +1  172.0595556 +1    30    18     2
  H     1.10255310 +1  112.3907134 +1  -69.5028549 +1    30    18     2
  H     1.10042926 +1  113.2511605 +1   52.8555426 +1    30    18     2
  H     1.06686737 +1  126.7380370 +1 -179.9917197 +1    31    25     8
  H     1.10520505 +1  111.1942747 +1 -171.6701165 +1    32    19     6
  H     1.10265117 +1  112.3233085 +1   69.9394389 +1    32    19     6
  H     1.10034084 +1  113.3120346 +1  -52.4117830 +1    32    19     6
  H     1.06688949 +1  126.7370289 +1 -179.9973396 +1    34    33    15
  H     1.10521923 +1  111.1975764 +1  172.2386273 +1    35    21     7
  H     1.10252235 +1  112.3762186 +1  -69.3456005 +1    35    21     7
  H     1.10041418 +1  113.2581673 +1   53.0389108 +1    35    21     7
  H     1.06689031 +1  126.7288315 +1  179.9677921 +1    36    26    16
  H     1.10521827 +1  111.1952724 +1 -171.2297691 +1    37    22     4
  H     1.10274134 +1  112.2786976 +1   70.4160841 +1    37    22     4
  H     1.10027606 +1  113.3588120 +1  -51.9389224 +1    37    22     4
  H     1.06687017 +1  126.7396459 +1  179.9882210 +1    39    38    20
  H     1.10521502 +1  111.1994965 +1  172.5350168 +1    40    24     5
  H     1.10251034 +1  112.3964673 +1  -69.0348689 +1    40    24     5
  H     1.10042337 +1  113.2504119 +1   53.3408424 +1    40    24     5
  H     1.10630441 +1  111.0259922 +1  179.4778610 +1    41    25     8
  H     1.10273286 +1  112.4544142 +1   60.4505544 +1    41    25     8
  H     1.10285489 +1  112.3800539 +1  -61.5327907 +1    41    25     8
  H     1.10632268 +1  111.0317818 +1  179.7282041 +1    42    26    16
  H     1.10272508 +1  112.4354639 +1   60.7123368 +1    42    26    16
  H     1.10284616 +1  112.3958103 +1  -61.2648507 +1    42    26    16
  H     1.10629969 +1  111.0205441 +1  179.5870866 +1    43    27    23
  H     1.10277728 +1  112.3999723 +1  -61.4055442 +1    43    27    23
  H     1.10277819 +1  112.4228496 +1   60.5729747 +1    43    27    23
  H     1.10631939 +1  111.0287551 +1  179.5842579 +1    44    33    15
  H     1.10275978 +1  112.4001078 +1  -61.3976190 +1    44    33    15
  H     1.10278037 +1  112.4140613 +1   60.5694965 +1    44    33    15
  H     1.10629041 +1  111.0270136 +1  179.8284869 +1    45    38    20
  H     1.10277133 +1  112.4223426 +1  -61.1458117 +1    45    38    20
  H     1.10280799 +1  112.3946195 +1   60.8291404 +1    45    38    20