Accuracy

Ho_(BEYSAZ) r   6994 Holmium complex, CCDC: BEYSAZ (Geo)

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    #  Species Formula
  6984 Holmium complex, CCDC: GODKOZ (Geo)C16H26N4O9Ho
  6985 Holmium complex, CCDC: QOZVOQ (Geo)C12H26NO10Ho
  6986 Holmium complex, CCDC: CAQFUV (Geo)C11H13N10O10Ho
  6987 Holmium complex, CCDC: CUSYUK (Geo)C10H18N2O11Ho
  6988 Holmium complex, CCDC: LIZPAL (Geo)C10H18N2O11Ho
  6989 Holmium complex, CCDC: NUJBAV (Geo)C21H9N3O12Ho
  6990 Holmium complex, CCDC: XARVOB (Geo)C18H24N4O12Ho
  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


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=-1.0
Holmium complex, CCDC: BEYSAZ
 <Ho-O2> <Ho-O2> <> <Ho-O4> <> <> <Ho-O5> <> <> <Ho-O6> GR=CCDC
 Ho     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31469997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.31469999 +1  104.2572623 +1    0.0000000 +0     1     2     0
  O     2.33039995 +1   94.0157815 +1  106.8453716 +1     1     2     3
  O     2.36940552 +1   70.7101149 +1  174.7504272 +1     1     2     3
  O     2.36944996 +1  143.6997875 +1  -83.3765136 +1     1     2     3
  O     2.40699972 +1  110.4933801 +1  -85.1459959 +1     5     1     2
  O     2.51944007 +1  157.0811967 +1  161.0200954 +1     6     1     2
  O     4.34107176 +1   89.2977862 +1  -82.8262825 +1     1     2     3
  H     0.94530317 +1  174.7237476 +1  122.5038942 +1     9     1     2
  H     1.40861371 +1  114.0323385 +1 -159.2143474 +1     2     1     3
  H     0.91956071 +1  143.0704053 +1    6.2870961 +1     2     1     3
  H     1.39460482 +1  113.5957682 +1   52.3935273 +1     4     1     2
  S     1.53409479 +1  140.1698110 +1  -50.8862702 +1     5     1     2
  O     1.58258720 +1  101.2854016 +1   54.4619301 +1    14     5     1
  O     2.52299228 +1   57.3247107 +1  -80.0974145 +1     8     6     1
  H     0.98767502 +1   72.9351113 +1  169.6562790 +1     9     1     2
  H     0.91906626 +1  143.6942412 +1 -140.3278327 +1     4     1     2
  S     1.63849031 +1   32.7857159 +1  -39.5674061 +1    16     8     6
  H     1.66709433 +1  109.1889330 +1 -141.0505123 +1     3     1     2
  H     0.90359029 +1  152.8493232 +1   56.3063393 +1     3     1     2
  O     1.43539415 +1  119.6129141 +1  179.8319259 +1    14     5     1
  O     1.47302585 +1  107.7597342 +1 -128.7349885 +1    19    16     8