Accuracy

Lu(III)C3N3 (CILCUV) r   7135 Lu(III)C3N3 (CILCUV) (Geo)

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    #  Species Formula
  7125 Lu(III)(Cp)C3(-) (CUTGUT) (Geo)C13H24Lu
  7126 Lu(III)(Cp)C3(-) (CUTGUT)C13H24Lu
  7127 Lu(III)C4(-) (FAZDIT) (Geo)C16H36Lu
  7128 Lu(III)C4(-) (FAZDIT)C16H36Lu
  7129 Lu(Cp)(C8) (LAWREG) (Geo)C17H21Lu
  7130 Lu(Cp)(C8) (LAWREG)C17H21Lu
  7131 Lu(III)(Cp)2CN (PAGGUZ) (Geo)C15H22NLu
  7132 Lu(III)(Cp)2CN (PAGGUZ)C15H22NLu
  7133 Lu(III)(Cp)2N2(-) (TABCOO) (Geo)C34H30N2Lu
  7134 Lu(III)(Cp)2N2(-) (TABCOO)C34H30N2Lu
  7135 Lu(III)C3N3 (CILCUV) (Geo) C27H36N3Lu
  7136 Lu(III)C3N3 (CILCUV)C27H36N3Lu
  7137 Lutetium complex, CCDC: XEPLUZ (Geo)C40H32N8Lu
  7138 Lu(0)N8 (XEPLOT) (Geo)C40H32N8Lu
  7139 Lutetium complex, CCDC: DIHZID (Geo)C51H83N8Lu
  7140 Lutetium complex, CCDC: DICBUM (Geo)C64H32N16Lu
  7141 Lu(Cp)2CO (BTHFLU) (Geo)C16H25OLu
  7142 Lu(Cp)2CO (BTHFLU)C16H25OLu
  7143 Lu(III)(Cp)3O (DEYYOV) (Geo)C19H23OLu
  7144 Lu(III)(Cp)3O (DEYYOV)C19H23OLu
  7145 Lu(III)(Cp)2NO (JENNEV) (Geo)C20H26NOLu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PULAY PM7
Lu(III)C3N3 (CILCUV)
 <Lu-N> <Lu-C><C-Lu-N> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.58787100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.42744500 +1   68.5865440 +1    0.0000000 +0     1     2     0
  N     2.29296343 +1  124.1740032 +1  149.1494536 +1     1     2     3
  C     1.50500337 +1   91.9542150 +1  -49.9121348 +1     2     1     3
  C     1.41021685 +1   70.4846824 +1   62.8353210 +1     3     1     2
  C     1.41214609 +1  122.1024887 +1   77.8294267 +1     6     3     1
  C     1.39291849 +1  119.0267504 +1    1.6656936 +1     7     6     3
  C     1.40364019 +1  119.4896659 +1   -5.8568721 +1     8     7     6
  C     1.39283986 +1  120.7316246 +1    4.8194352 +1     9     8     7
  C     1.49395658 +1  136.4681345 +1  119.9249777 +1     2     1     5
  C     1.48680083 +1   95.7638572 +1  127.1829007 +1     2     1    11
  C     3.15443448 +1   78.5224966 +1  141.9787814 +1     1     2     4
  C     1.51317639 +1   54.2471638 +1  -94.6043500 +1    13     1     2
  C     1.40963455 +1  116.7928724 +1  113.5664351 +1    14    13     1
  C     1.38716417 +1  122.0539396 +1  167.0512897 +1    15    14    13
  C     1.39355862 +1  119.5942637 +1   -2.0493389 +1    16    15    14
  C     1.38696200 +1  119.4771780 +1    5.5754823 +1    17    16    15
  C     1.40572422 +1  121.0835696 +1   -0.3705135 +1    18    17    16
  C     2.40620472 +1  156.3520259 +1 -155.6285760 +1    13     1    14
  C     2.42918046 +1   61.4539643 +1  167.1915654 +1    20    13     1
  C     1.49235315 +1  104.5149314 +1  155.2997474 +1     4     1     2
  C     1.50770785 +1  110.4576503 +1   16.2010662 +1    22     4     1
  C     1.40308924 +1  116.8650145 +1  107.8326115 +1    23    22     4
  C     1.38863338 +1  120.8302441 +1  171.3223748 +1    24    23    22
  C     1.39569350 +1  119.9161674 +1   -0.6720370 +1    25    24    23
  C     1.38675681 +1  120.1874327 +1    2.5809847 +1    26    25    24
  C     1.40951804 +1  124.2998780 +1  176.1239619 +1    23    22    24
  C     1.49710410 +1  105.8368989 +1  117.1391664 +1     4     1    22
  C     1.49281235 +1  112.7993524 +1  119.2057509 +1     4     1    29
  H     1.12699864 +1  110.7598138 +1  134.9244825 +1     5     2     1
  H     1.11426453 +1  111.9555826 +1  122.1519284 +1     5     2    31
  H     1.09647747 +1  119.4193674 +1  174.8666444 +1     7     6     8
  H     1.08994764 +1  120.3642862 +1  177.5249274 +1     8     7     9
  H     1.09485485 +1  119.3835810 +1  175.5103516 +1     9     8    10
  H     1.09828378 +1  120.4928533 +1  174.8331696 +1    10     9     8
  H     1.10919736 +1  107.6440837 +1  -49.4138836 +1    11     2     1
  H     1.10653025 +1  112.5560238 +1 -120.2384691 +1    11     2    37
  H     1.10047434 +1  110.0744317 +1 -121.6454991 +1    11     2    38
  H     1.10646284 +1  111.6922950 +1   48.5155076 +1    12     2     1
  H     1.10695381 +1  109.6548425 +1 -117.9500622 +1    12     2    40
  H     1.11287863 +1  111.7010138 +1 -121.2343336 +1    12     2    41
  H     1.12129068 +1   69.9552633 +1   14.6283642 +1    13     1    20
  H     1.11940791 +1   91.6190108 +1 -104.7370605 +1    13     1    43
  H     1.09748287 +1  117.9283522 +1 -175.9767661 +1    15    14    16
  H     1.09348421 +1  119.9033154 +1 -176.6879016 +1    16    15    17
  H     1.09377357 +1  120.4244293 +1 -178.2170030 +1    17    16    18
  H     1.09637464 +1  120.4982584 +1 -175.6770453 +1    18    17    19
  H     1.10173401 +1  144.3379289 +1  -42.2715869 +1    20    13    21
  H     1.10361143 +1   88.1297547 +1 -117.9914421 +1    20    13    49
  H     1.10021617 +1   95.5596534 +1 -107.9383923 +1    20    13    50
  H     1.10402232 +1  143.4410770 +1  -47.4437956 +1    21    20    13
  H     1.10317041 +1   87.6031445 +1 -115.1755130 +1    21    20    52
  H     1.09860496 +1   97.6050391 +1 -108.5993549 +1    21    20    53
  H     1.12875409 +1  110.4393265 +1  121.7614022 +1    22     4    23
  H     1.12232582 +1  110.5061831 +1  116.0804445 +1    22     4    55
  H     1.09355072 +1  118.9422646 +1 -177.8041922 +1    24    23    25
  H     1.09278929 +1  119.7770070 +1 -178.2209440 +1    25    24    26
  H     1.09430748 +1  120.2912559 +1 -179.5147083 +1    26    25    27
  H     1.10257338 +1  121.5809791 +1 -178.9051529 +1    27    26    25
  H     1.11063085 +1  110.4761774 +1   56.4035328 +1    29     4     1
  H     1.10860518 +1  111.1718382 +1 -118.0115316 +1    29     4    61
  H     1.11498401 +1  110.6731070 +1 -121.4524141 +1    29     4    62
  H     1.10920620 +1  109.6353941 +1  -60.1035708 +1    30     4     1
  H     1.11348869 +1  111.2479308 +1 -120.5870269 +1    30     4    64
  H     1.10502643 +1  111.2076282 +1 -122.0416270 +1    30     4    65
  N     1.48426474 +1   36.3272093 +1 -124.8112514 +1    20    13    51