Accuracy

Sm_(JAQNOE) r   6690 Samarium complex, CCDC: JAQNOE (Geo)

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    #  Species Formula
  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
  6700 Samarium complex, CCDC: NOWTUO (Geo)C15H25N4O8Sm


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
Samarium complex, CCDC: JAQNOE
 <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     2.52600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.52739995 +1   74.8655065 +1    0.0000000 +0     1     2     0
  N     2.53499963 +1   81.4251903 +1  135.2480575 +1     1     2     3
  N     2.54259975 +1  128.4794325 +1   65.4989070 +1     1     2     3
  N     2.56640047 +1  133.8302528 +1  -69.8351683 +1     1     2     3
  N     2.57249946 +1   87.5083474 +1 -136.7254238 +1     1     2     3
  N     3.45448975 +1   67.1464431 +1  -71.2174193 +1     1     2     3
  N     3.38832575 +1  142.9963792 +1  178.2388063 +1     1     2     3
  N     1.37465649 +1  120.8605809 +1 -102.2055694 +1     4     1     2
  N     1.37424470 +1  120.6865673 +1   40.9641286 +1     5     1     2
  N     1.36764135 +1  126.2541313 +1  164.8538955 +1     7     1     2
  N     1.36797488 +1  126.3368834 +1  -99.7750054 +1     6     1     2
  N     1.37010118 +1  127.1807321 +1   31.1048100 +1     2     1     3
  N     1.36997276 +1  127.1732353 +1  -31.1469264 +1     3     1     2
  N     1.35629214 +1  109.9281262 +1   41.3764404 +1     8     1     2
  N     1.35642500 +1  111.2187713 +1   91.6665173 +1     9     1     2
  C     1.38436833 +1  126.6192796 +1 -148.9980575 +1     2     1     3
  C     1.40073520 +1  110.1659695 +1 -179.2734366 +1    18     2     1
  C     1.36116701 +1  110.3759069 +1  179.2999048 +1    14     2     1
  C     1.35530252 +1  142.6330367 +1 -139.1146267 +1     8     1     2
  C     1.42434555 +1  109.6545358 +1 -179.5037904 +1    21     8     1
  C     1.39931910 +1  105.1456388 +1   -0.0076207 +1    22    21     8
  C     1.38432926 +1  126.6265981 +1  148.8188384 +1     3     1     2
  C     1.40081124 +1  110.1576461 +1  179.3272995 +1    24     3     1
  C     1.36125865 +1  110.3814000 +1 -179.3504593 +1    15     3     1
  C     1.38139858 +1  127.0866997 +1   -8.5493303 +1     7     1     2
  C     1.40291891 +1  110.0831991 +1  174.8933941 +1    27     7     1
  C     1.36282387 +1  110.3163046 +1 -174.8733858 +1    12     7     1
  C     1.35630172 +1  141.2925443 +1  -88.0461658 +1     9     1     2
  C     1.42323548 +1  109.6052003 +1  179.7334052 +1    30     9     1
  C     1.40057187 +1  105.1332716 +1   -0.0090989 +1    31    30     9
  C     1.38171564 +1  127.0014084 +1   73.2387676 +1     6     1     2
  C     1.40268907 +1  110.1018723 +1 -174.5713418 +1    33     6     1
  C     1.41189530 +1  104.8789942 +1    0.3400875 +1    34    33     6
  C     1.38127804 +1  131.6725407 +1 -153.1958248 +1     5     1     2
  C     1.40269537 +1  109.9063175 +1 -167.4405187 +1    36     5     1
  C     1.41454744 +1  105.0358937 +1    0.7313947 +1    37    36     5
  C     1.38164654 +1  131.5316770 +1   91.8559805 +1     4     1     2
  C     1.40243837 +1  109.9138385 +1  167.5630642 +1    39     4     1
  C     1.41470501 +1  105.0336275 +1   -0.7487700 +1    40    39     4
  B     1.54064852 +1  121.0024818 +1   -0.1615959 +1    16     8     1
  B     1.54308464 +1  121.1772170 +1    0.1021050 +1    17     9     1
  B     1.50108499 +1  118.8423089 +1    5.8025772 +1    10     4     1
  H     1.07816917 +1  121.0139237 +1    1.5534732 +1    18     2     1
  H     1.06554682 +1  127.9987149 +1  179.7377143 +1    19    18     2
  H     1.07535647 +1  123.3348661 +1 -179.7182998 +1    20    14     2
  H     1.07314400 +1  121.8333068 +1    0.5081076 +1    21     8     1
  H     1.06469012 +1  126.8846081 +1  179.9797787 +1    22    21     8
  H     1.07177535 +1  129.4838633 +1 -179.9808725 +1    23    22    21
  H     1.07812727 +1  121.0289252 +1   -1.5798406 +1    24     3     1
  H     1.06556531 +1  127.9758923 +1 -179.7455824 +1    25    24     3
  H     1.07534045 +1  123.3383166 +1  179.6859557 +1    26    15     3
  H     1.07543133 +1  121.1814014 +1   -3.9097474 +1    27     7     1
  H     1.06494459 +1  127.8939349 +1 -179.8903376 +1    28    27     7
  H     1.07441955 +1  123.3139286 +1 -179.8366160 +1    29    12     7
  H     1.07360239 +1  121.7840636 +1   -0.2820898 +1    30     9     1
  H     1.06425796 +1  126.9253077 +1  179.9807578 +1    31    30     9
  H     1.07139340 +1  129.3729429 +1  179.9975270 +1    32    31    30
  H     1.07556840 +1  121.1747555 +1    4.2886682 +1    33     6     1
  H     1.06494973 +1  127.8960774 +1  179.9090178 +1    34    33     6
  H     1.07448441 +1  128.3636827 +1  179.9173093 +1    35    34    33
  H     1.07578160 +1  121.1742741 +1   11.2589450 +1    36     5     1
  H     1.06490235 +1  127.8657030 +1  179.9975051 +1    37    36     5
  H     1.07460246 +1  128.7063269 +1  178.8099660 +1    38    37    36
  H     1.07595054 +1  121.1455982 +1  -11.1915599 +1    39     4     1
  H     1.06491888 +1  127.8806171 +1  179.9510507 +1    40    39     4
  H     1.07465197 +1  128.6937134 +1 -178.7781442 +1    41    40    39
  H     1.22918254 +1  106.6055352 +1 -179.8580113 +1    42    16     8
  H     1.22880113 +1  106.5073443 +1  179.8262765 +1    43    17     9
  H     1.42761753 +1  119.0516811 +1  131.7321535 +1    44    10     4
  H     1.43141962 +1  118.7720993 +1   92.2566370 +1    44    10     4