Accuracy

Sm_(NUQYUT) r   6686 Samarium complex, CCDC: NUQYUT (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  6695 Samarium complex, CCDC: NAFKIO (Geo)C44H67O5Sm
  6696 Samarium complex, CCDC: XAXYAW (Geo)C40H67N2O6Sm


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=3.0
Samarium complex, CCDC: NUQYUT
 <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     2.25701571 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.69156039 +1  162.9484291 +1    0.0000000 +0     1     2     0
  N     2.29890687 +1   71.9951688 +1   67.6459874 +1     1     2     3
  N     2.45314205 +1  101.1573602 +1  173.5466548 +1     1     2     3
  N     2.54134734 +1  107.0587481 +1 -116.8320442 +1     1     2     3
  N     2.58990000 +1   99.9738527 +1  -15.6939816 +1     1     2     3
  C     1.36796718 +1  122.1437660 +1   -2.6256394 +1     7     1     2
  C     1.39084491 +1  124.2131583 +1  172.8586037 +1     8     7     1
  C     1.39392148 +1  118.7115748 +1   -0.6350793 +1     9     8     7
  C     1.39502579 +1  118.4064903 +1    1.5311881 +1    10     9     8
  C     1.37616842 +1  121.3262580 +1  171.9375084 +1     7     1     2
  C     1.37204457 +1  118.2017854 +1  -20.8441317 +1     3     1     2
  C     1.39731855 +1  121.8972704 +1 -170.4854486 +1    13     3     1
  C     1.39725676 +1  119.9081016 +1   -2.5377910 +1    14    13     3
  C     1.39212880 +1  118.6390455 +1    0.2985221 +1    15    14    13
  C     1.36123752 +1  124.3806661 +1  166.0667725 +1     3     1     2
  C     1.55045236 +1  127.7691198 +1  -76.3915935 +1     5     1     2
  C     1.53077940 +1  108.8879305 +1   29.2548546 +1    18     5     1
  C     1.52911753 +1  106.2979369 +1  -90.4967121 +1    18     5     1
  C     1.52872692 +1  111.5019699 +1  148.6228173 +1    18     5     1
  C     1.30203213 +1  118.1341090 +1  106.3209249 +1     5     1     2
  C     1.29702179 +1  115.6203514 +1  -98.6629865 +1     6     1     2
  C     1.53720682 +1  128.7958458 +1   87.2342895 +1     6     1     2
  C     1.53039332 +1  108.9270582 +1  -31.3934838 +1    24     6     1
  C     1.53067499 +1  106.5026473 +1   87.8801349 +1    24     6     1
  C     1.53038729 +1  111.5226710 +1 -151.2889157 +1    24     6     1
  C     1.59239247 +1  129.9304506 +1  112.9034401 +1     2     1     3
  C     1.52445870 +1  110.3746501 +1  147.6883926 +1    28     2     1
  C     1.52472658 +1  108.7760904 +1   28.6254491 +1    28     2     1
  C     1.52367437 +1  105.6524784 +1  -91.5486883 +1    28     2     1
  C     1.30754016 +1  117.9148048 +1  -64.9727099 +1     2     1     3
  C     1.50969663 +1  116.7816415 +1   -1.8749206 +1    32     2     1
  C     1.58046734 +1  129.9431337 +1 -177.8290455 +1     4     1     2
  C     1.52513137 +1  108.9297825 +1  -31.5750823 +1    34     4     1
  C     1.52528720 +1  105.6975410 +1   88.0983074 +1    34     4     1
  C     1.52569386 +1  110.6134571 +1 -151.1846163 +1    34     4     1
  H     1.09733672 +1  115.7327362 +1   -7.1917757 +1     8     7     1
  H     1.09929890 +1  120.5887087 +1  179.4805843 +1     9     8     7
  H     1.10460915 +1  120.9536517 +1 -178.8068961 +1    10     9     8
  H     1.09879074 +1  118.7464642 +1 -179.6861089 +1    11    10     9
  H     1.09806851 +1  121.3325009 +1  177.3154254 +1    14    13     3
  H     1.10438721 +1  120.4410863 +1 -179.4351608 +1    15    14    13
  H     1.09899841 +1  120.8147679 +1 -178.9599696 +1    16    15    14
  H     1.09778585 +1  115.8500310 +1   -8.4662496 +1    17     3     1
  H     1.09396579 +1  112.8116205 +1   57.8590819 +1    19    18     5
  H     1.09023549 +1  114.3519537 +1  -69.7086472 +1    19    18     5
  H     1.11178947 +1  109.3709060 +1  173.8006376 +1    19    18     5
  H     1.09870204 +1  112.8503170 +1  -63.6268197 +1    20    18     5
  H     1.10865503 +1  110.2220846 +1  179.2666946 +1    20    18     5
  H     1.09171932 +1  113.8490165 +1   60.2549629 +1    20    18     5
  H     1.09912375 +1  114.1334907 +1   73.9944942 +1    21    18     5
  H     1.09698449 +1  113.1873295 +1  -51.1019394 +1    21    18     5
  H     1.10883660 +1  110.8803438 +1 -169.1082268 +1    21    18     5
  H     1.11116991 +1  125.6626600 +1  178.6768257 +1    22     5     1
  H     1.11004915 +1  126.1105482 +1 -175.9113609 +1    23     6     1
  H     1.09439391 +1  113.0378548 +1  -59.8170767 +1    25    24     6
  H     1.11105379 +1  109.4073259 +1 -176.2905924 +1    25    24     6
  H     1.08983727 +1  113.9968166 +1   67.3996504 +1    25    24     6
  H     1.09756563 +1  112.9141843 +1   63.1526496 +1    26    24     6
  H     1.09245836 +1  113.2191094 +1  -60.0199686 +1    26    24     6
  H     1.10692863 +1  110.3635215 +1 -178.9757429 +1    26    24     6
  H     1.09862868 +1  113.8581262 +1  -73.2365166 +1    27    24     6
  H     1.10830588 +1  110.6448662 +1  169.8848755 +1    27    24     6
  H     1.09620215 +1  113.1422935 +1   51.5861561 +1    27    24     6
  H     1.09925174 +1  114.5617179 +1   75.2898522 +1    29    28     2
  H     1.09729018 +1  113.5371037 +1  -50.7723538 +1    29    28     2
  H     1.11106890 +1  110.6421986 +1 -168.2446073 +1    29    28     2
  H     1.09250587 +1  114.6593543 +1  -69.9231894 +1    30    28     2
  H     1.11307746 +1  109.4685709 +1  173.8753187 +1    30    28     2
  H     1.09477463 +1  113.2658428 +1   57.8961593 +1    30    28     2
  H     1.09828416 +1  113.3212118 +1  -62.2000481 +1    31    28     2
  H     1.11069499 +1  110.0882733 +1 -179.2483664 +1    31    28     2
  H     1.09311252 +1  114.0557938 +1   62.3587811 +1    31    28     2
  H     1.10904529 +1  126.7806068 +1  178.1867999 +1    32     2     1
  H     1.10837969 +1  116.5780601 +1  178.8097467 +1    33    32     2
  H     1.09531469 +1  113.3892326 +1  -59.7627628 +1    35    34     4
  H     1.11296881 +1  109.3834213 +1 -175.9488739 +1    35    34     4
  H     1.09139329 +1  114.4600914 +1   68.2540532 +1    35    34     4
  H     1.09762490 +1  113.3524144 +1   62.3887983 +1    36    34     4
  H     1.09360402 +1  113.5931137 +1  -61.3457330 +1    36    34     4
  H     1.10894923 +1  110.2751823 +1 -179.8822015 +1    36    34     4
  H     1.09680669 +1  113.5077135 +1   51.4627887 +1    37    34     4
  H     1.09905582 +1  114.3163151 +1  -74.4071250 +1    37    34     4
  H     1.11057590 +1  110.4718106 +1  169.2297003 +1    37    34     4