Accuracy

Er_(XOXXAJ) r   7001 Erbium complex, CCDC: XOXXAJ (Geo)

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    #  Species Formula
  6991 Holmium complex, CCDC: XORGEQ (Geo)C21H23O16Ho
  6992 Holmium complex, CCDC: LEYJEE (Geo)C12H30N3O18Ho
  6993 Holmium complex, CCDC: SIFZIQ (Geo)C15H7O8F18Ho
  6994 Holmium complex, CCDC: BEYSAZ (Geo)H8O12S2Ho
  6995 Holmium complex, CCDC: GAKYIA (Geo)C14H26O12S2Ho
  6996 Holmium complex, CCDC: FAGYOC (Geo)C14H20N2O12S2Ho
  6997 Holmium complex, CCDC: IDOZIK (Geo)C54H58N4O12Ho2
  6998 Holmium complex, CCDC: NIHRIF (Geo)C42H34N8O14Ho2
  6999 Holmium complex, CCDC: KAVLOI (Geo)C12H44N4O16Ho2
  7000 Holmium complex, CCDC: COZHEE (Geo)C36H32N6O16Ho2
  7001 Erbium complex, CCDC: XOXXAJ (Geo) C23H37N2Er
  7002 Erbium complex, CCDC: DIJQIW (Geo)C33H47N8Er
  7003 Erbium complex, CCDC: DIJQAO (Geo)C44H77N8Er
  7004 Erbium complex, CCDC: YEDSIJ10 (Geo)C19H23OEr
  7005 Erbium complex, CCDC: YEGFEV (Geo)C41H73N6O2Er
  7006 Erbium complex, CCDC: ZADWUW (Geo)C30H39O3Er
  7007 Erbium complex, CCDC: VEQFOM (Geo)C27H27N4O3Er
  7008 Erbium complex, CCDC: TUMJEQ (Geo)C53H53N6O4Er
  7009 Erbium complex, CCDC: UFIRIK (Geo)C48H66N8O5Er
  7010 Erbium complex, CCDC: TMHDER (Geo)C33H57O6Er
  7011 Erbium complex, CCDC: XEWVOK (Geo)C10H20N2O6Er


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
Erbium complex, CCDC: XOXXAJ
 <Er-N2> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.27890000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.21720479 +1   76.8376407 +1    0.0000000 +0     2     1     0
  C     3.65265926 +1   98.4738045 +1  -73.2092064 +1     1     2     3
  C     1.41347935 +1   74.3451467 +1 -132.9601073 +1     4     1     2
  C     1.41316146 +1  107.8810842 +1  -75.0143229 +1     5     4     1
  C     1.41193892 +1  108.0328331 +1    0.6985957 +1     6     5     4
  C     1.41265860 +1  107.9337486 +1   -0.7022582 +1     7     6     5
  C     2.40028273 +1  125.5676943 +1  125.7513029 +1     1     2     3
  C     1.48778655 +1  113.6063173 +1  100.9461658 +1     9     1     2
  C     1.36100164 +1  110.2470189 +1 -119.7208726 +1    10     9     1
  C     1.45756082 +1  108.4804508 +1   -1.6252878 +1    11    10     9
  C     1.36099752 +1  108.4793264 +1   -0.0968157 +1    12    11    10
  C     1.41061406 +1  110.4643860 +1    7.7581194 +1     2     1     3
  C     1.49702876 +1  125.6794406 +1  160.1749090 +1    14     2     1
  C     1.53831367 +1  108.8546915 +1  -82.6967377 +1    15    14     2
  C     1.53202816 +1  110.6075033 +1 -177.0585174 +1    16    15    14
  C     1.52841511 +1  110.2552156 +1  179.6916980 +1    17    16    15
  C     1.49405691 +1  131.6151984 +1 -163.0373944 +1     2     1     3
  C     1.55730413 +1  109.1874124 +1   -0.3994195 +1    19     2     1
  C     1.53965734 +1  112.8853440 +1 -118.0357618 +1    19     2     1
  C     1.54292425 +1  110.9858847 +1  116.3180543 +1    19     2     1
  C     1.46280952 +1  165.2679111 +1  177.2966154 +1     3     2     1
  C     1.54263893 +1  111.2274571 +1   52.2613280 +1    23     3     2
  C     1.53721662 +1  113.1940181 +1  -72.6648164 +1    23     3     2
  C     1.55207880 +1  105.2122337 +1  169.5514433 +1    23     3     2
  H     1.06423998 +1  114.2061197 +1  -10.1076834 +1     4     1     2
  H     1.06288598 +1  125.8107455 +1  111.5194741 +1     5     4     1
  H     1.06400938 +1  125.8866124 +1 -173.8053036 +1     6     5     4
  H     1.06343381 +1  125.9641738 +1 -175.3914989 +1     7     6     5
  H     1.06440855 +1  125.9364302 +1 -176.5119752 +1     8     7     6
  H     1.08929221 +1  106.2012500 +1 -137.2300055 +1     9     1     2
  H     1.07108416 +1  122.9426410 +1   63.1285717 +1    10     9     1
  H     1.07011159 +1  128.1338053 +1  179.9249905 +1    11    10     9
  H     1.07037331 +1  123.4226504 +1 -178.5687764 +1    12    11    10
  H     1.06955052 +1  126.6481145 +1 -176.0176343 +1    13    12    11
  H     1.11115698 +1  110.8217743 +1  156.4616007 +1    15    14     2
  H     1.10751497 +1  112.8960114 +1   39.9097529 +1    15    14     2
  H     1.10859086 +1  110.4408813 +1  -54.9275410 +1    16    15    14
  H     1.10682617 +1  110.4892383 +1   60.6395830 +1    16    15    14
  H     1.10651389 +1  110.2018008 +1  -58.5779889 +1    17    16    15
  H     1.10707857 +1  110.1856761 +1   58.0396940 +1    17    16    15
  H     1.09684553 +1  111.5069049 +1  -59.5715430 +1    18    17    16
  H     1.09602663 +1  111.1774935 +1 -179.4718835 +1    18    17    16
  H     1.09593739 +1  111.5633302 +1   60.5878121 +1    18    17    16
  H     1.08981141 +1  112.9014974 +1  -66.7498184 +1    20    19     2
  H     1.09986307 +1  109.2015751 +1  176.3818286 +1    20    19     2
  H     1.09329878 +1  113.2113148 +1   60.2966356 +1    20    19     2
  H     1.09384260 +1  112.7857835 +1  -80.3455136 +1    21    19     2
  H     1.09553671 +1  111.4231884 +1  160.8284210 +1    21    19     2
  H     1.09496601 +1  111.2752337 +1   40.6835748 +1    21    19     2
  H     1.09535325 +1  111.0845774 +1  -55.8775499 +1    22    19     2
  H     1.09518112 +1  111.0763340 +1 -175.8362685 +1    22    19     2
  H     1.09268250 +1  113.0286445 +1   64.1858734 +1    22    19     2
  H     1.09345111 +1  112.3576672 +1  -69.7904121 +1    24    23     3
  H     1.09540713 +1  110.9043610 +1  170.3893409 +1    24    23     3
  H     1.09484892 +1  111.0626899 +1   50.5933221 +1    24    23     3
  H     1.09847484 +1  111.0713257 +1  -47.7201895 +1    25    23     3
  H     1.09599043 +1  111.0472099 +1 -166.8918369 +1    25    23     3
  H     1.09340266 +1  112.4269931 +1   73.3734675 +1    25    23     3
  H     1.09093552 +1  111.7722754 +1  -58.0074173 +1    26    23     3
  H     1.09597403 +1  110.1643821 +1 -176.8471661 +1    26    23     3
  H     1.09651831 +1  111.2779699 +1   65.2492662 +1    26    23     3