Accuracy

Sm_(XEPLAF) r   6687 Samarium complex, CCDC: XEPLAF (Geo)

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    #  Species Formula
  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
  6697 Samarium complex, CCDC: QIPQOV (Geo)C21H27N3O6Sm


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: XEPLAF
 <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     2.53640063 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.53723016 +1   87.4586679 +1    0.0000000 +0     1     2     0
  N     2.55890000 +1   65.1519469 +1 -106.3223561 +1     1     2     3
  N     2.55899987 +1  105.5046758 +1   63.3977977 +1     1     2     3
  N     2.60060476 +1   96.9495409 +1 -179.3507921 +1     1     2     3
  N     2.60127547 +1  177.2135889 +1 -135.3813201 +1     1     2     3
  N     3.32640553 +1   69.6613464 +1  129.2029543 +1     1     2     3
  N     3.39143511 +1  122.3851827 +1  -61.4208385 +1     1     2     3
  C     1.36306700 +1  123.6496019 +1  178.4665962 +1     4     1     2
  C     1.39483871 +1  123.8801325 +1  170.5185974 +1    10     4     1
  C     1.39037234 +1  118.8080126 +1   -0.0874528 +1    11    10     4
  C     1.39858388 +1  118.5478322 +1    1.5992612 +1    12    11    10
  C     1.37743070 +1  119.4087415 +1   -8.7486200 +1     4     1     2
  C     1.37763193 +1  120.4112366 +1  111.9699446 +1     2     1     3
  C     1.39506928 +1  122.1719685 +1  178.6429484 +1    15     2     1
  C     1.39707822 +1  120.0415953 +1    0.1758777 +1    16    15     2
  C     1.39159315 +1  118.5229011 +1    0.2951648 +1    17    16    15
  C     1.36529227 +1  123.1334960 +1  -68.8299732 +1     2     1     3
  C     1.34720298 +1  129.9079782 +1  -56.9035311 +1     8     1     2
  C     1.40088252 +1  122.8154235 +1  136.4896369 +1    20     8     1
  C     1.39117753 +1  118.5606596 +1   -1.3925294 +1    21    20     8
  C     1.39773001 +1  119.0836958 +1    2.2297743 +1    22    21    20
  C     1.35685861 +1  101.6619521 +1   86.7185317 +1     8     1     2
  C     1.37219140 +1  128.7215207 +1  -48.0303924 +1     6     1     2
  C     1.40360011 +1  122.5763095 +1 -176.5666894 +1    25     6     1
  C     1.38980095 +1  120.3678794 +1   -2.7282334 +1    26    25     6
  C     1.39660621 +1  118.0206850 +1    0.7118367 +1    27    26    25
  C     1.37455440 +1  115.9164276 +1  132.7116939 +1     6     1     2
  C     1.36326425 +1  123.7093901 +1   98.8906311 +1     5     1     2
  C     1.39449716 +1  123.8597699 +1  169.1744012 +1    30     5     1
  C     1.39076523 +1  118.7978855 +1   -0.0551194 +1    31    30     5
  C     1.39837972 +1  118.5686852 +1    1.7072559 +1    32    31    30
  C     1.37720389 +1  119.1963959 +1  -89.4299400 +1     5     1     2
  C     1.37777754 +1  120.2385191 +1  114.5108212 +1     3     1     2
  C     1.34707715 +1  130.0450451 +1   15.0953209 +1     9     1     2
  C     1.40121003 +1  122.7952528 +1  131.6504677 +1    36     9     1
  C     1.39122960 +1  118.5961582 +1   -1.3753119 +1    37    36     9
  C     1.39745239 +1  119.0893073 +1    2.1390563 +1    38    37    36
  C     1.35588580 +1   99.2310753 +1  154.9188591 +1     9     1     2
  C     1.37123309 +1  129.0496383 +1   89.1937888 +1     7     1     2
  C     1.40387249 +1  122.7298992 +1 -176.5159012 +1    41     7     1
  C     1.38932158 +1  120.3009438 +1   -2.5004516 +1    42    41     7
  C     1.39700428 +1  118.0001232 +1    0.4951587 +1    43    42    41
  C     1.37525053 +1  115.6933088 +1  -89.9798077 +1     7     1     2
  C     1.36484151 +1  123.2876296 +1  -65.9700029 +1     3     1     2
  C     1.39334476 +1  124.0313169 +1 -178.8846579 +1    46     3     1
  C     1.39135003 +1  118.7569345 +1   -0.0712967 +1    47    46     3
  C     1.39717438 +1  118.5385646 +1   -0.3765731 +1    48    47    46
  H     1.10333682 +1  115.9150305 +1   -9.9304053 +1    10     4     1
  H     1.09774472 +1  120.3007728 +1 -179.8644391 +1    11    10     4
  H     1.10237380 +1  121.0871996 +1 -178.8201563 +1    12    11    10
  H     1.09659669 +1  118.7302627 +1  179.4595388 +1    13    12    11
  H     1.09753118 +1  121.2476910 +1  179.6538082 +1    16    15     2
  H     1.10308059 +1  120.4670593 +1  179.8935903 +1    17    16    15
  H     1.09786063 +1  120.8271563 +1  179.1896086 +1    18    17    16
  H     1.09915353 +1  115.8424250 +1    1.4458087 +1    19     2     1
  H     1.09807505 +1  115.8961164 +1  -44.1960621 +1    20     8     1
  H     1.09638429 +1  120.4724365 +1  178.1906813 +1    21    20     8
  H     1.10112595 +1  120.7714937 +1 -178.8768368 +1    22    21    20
  H     1.09450600 +1  119.6836762 +1  179.9649099 +1    23    22    21
  H     1.09831999 +1  120.2375080 +1  176.5104547 +1    26    25     6
  H     1.10214720 +1  120.9875273 +1 -179.4189645 +1    27    26    25
  H     1.09681213 +1  120.5443622 +1 -179.4191844 +1    28    27    26
  H     1.09787320 +1  115.7925967 +1   -1.0469854 +1    29     6     1
  H     1.10300958 +1  115.8760474 +1  -11.1295851 +1    30     5     1
  H     1.09781928 +1  120.3472922 +1 -179.8647674 +1    31    30     5
  H     1.10250496 +1  121.0584086 +1 -178.7787669 +1    32    31    30
  H     1.09665564 +1  118.7556220 +1  179.3927342 +1    33    32    31
  H     1.09828881 +1  115.8667419 +1  -49.2152499 +1    36     9     1
  H     1.09639758 +1  120.4466213 +1  178.0439340 +1    37    36     9
  H     1.10079940 +1  120.7609585 +1 -179.0962454 +1    38    37    36
  H     1.09399726 +1  119.8604686 +1  179.7070062 +1    39    38    37
  H     1.09844217 +1  120.1368235 +1  176.7636316 +1    42    41     7
  H     1.10213500 +1  121.0217277 +1 -179.6063790 +1    43    42    41
  H     1.09679993 +1  120.5053071 +1 -179.3323785 +1    44    43    42
  H     1.09758119 +1  115.8030495 +1   -1.3717395 +1    45     7     1
  H     1.09753140 +1  118.7223104 +1 -179.0965492 +1    49    48    47
  H     1.10306275 +1  121.0109826 +1 -179.9014569 +1    48    47    46
  H     1.09779753 +1  120.4047599 +1 -179.5051338 +1    47    46     3
  H     1.09941413 +1  115.8119518 +1    1.1901749 +1    46     3     1