Accuracy

Ho_(GAKYIA) r   6995 Holmium complex, CCDC: GAKYIA (Geo)

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    #  Species Formula
  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
  7005 Erbium complex, CCDC: YEGFEV (Geo)C41H73N6O2Er


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: GAKYIA
 <Ho-O2> <Ho-O3> <> <Ho-O4> <> <> <Ho-O5> <> <> <Ho-O6> <> <> <Ho-O7> GR=CCDC
 Ho     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.30441415 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.32820004 +1   66.2481170 +1    0.0000000 +0     1     2     0
  O     2.33960003 +1   74.1260332 +1  170.9467403 +1     1     2     3
  O     2.35810005 +1   85.6739963 +1   99.9699045 +1     1     2     3
  O     2.36131465 +1  158.3984043 +1    6.1762242 +1     1     2     3
  O     2.36680001 +1  116.0172572 +1  -98.0249081 +1     1     2     3
  O     3.90960513 +1   58.5486962 +1  127.6864901 +1     1     2     3
  O     4.42079715 +1   65.3800955 +1 -158.1045433 +1     1     2     3
  S     1.56918466 +1  168.7544114 +1 -106.1660460 +1     2     1     3
  S     1.55072007 +1  152.1129258 +1 -124.2624222 +1     6     1     2
  O     1.49964039 +1  105.4360120 +1  -12.9947627 +1    10     2     1
  O     1.56925656 +1  100.0427529 +1   14.9065381 +1    11     6     1
  O     1.44281310 +1  107.3324073 +1  114.2835717 +1    10     2     1
  O     1.42969127 +1  113.5799575 +1 -109.1556989 +1    11     6     1
  C     1.73627849 +1  103.9522674 +1 -125.3448397 +1    10     2     1
  C     1.39611499 +1  120.1422346 +1  109.5316968 +1    16    10     2
  C     1.39075819 +1  120.1887253 +1 -176.9853597 +1    17    16    10
  C     1.40027855 +1  120.2797202 +1   -1.0549332 +1    18    17    16
  C     1.39828682 +1  119.3441390 +1   -0.1548429 +1    19    18    17
  C     1.39556437 +1  120.1567552 +1  -69.3680791 +1    16    10     2
  C     1.48577533 +1  120.0495625 +1 -178.7771206 +1    19    18    17
  C     1.72049158 +1  107.0012486 +1  125.7221150 +1    11     6     1
  C     1.39820354 +1  120.0204149 +1   98.4684288 +1    23    11     6
  C     1.38969275 +1  120.1423265 +1 -179.1978565 +1    24    23    11
  C     1.40022735 +1  120.3233679 +1   -0.5189154 +1    25    24    23
  C     1.39921264 +1  119.3986621 +1   -0.3418702 +1    26    25    24
  C     1.39726388 +1  120.3275148 +1  -82.0148738 +1    23    11     6
  C     1.48576032 +1  119.8840389 +1 -179.4113280 +1    26    25    24
  H     1.00287568 +1  127.6145341 +1   73.8498287 +1     4     1     2
  H     0.95103895 +1  157.9736188 +1 -134.2699982 +1     8     1     2
  H     0.95816597 +1  141.9571352 +1 -160.6563829 +1     9     1     2
  H     0.97135195 +1  139.3461776 +1 -178.3582221 +1     3     1     2
  H     1.36750169 +1  113.8842063 +1  159.5146517 +1     7     1     2
  H     0.95765220 +1  138.7987204 +1 -149.7657104 +1     5     1     2
  H     1.09793988 +1  120.7729310 +1    4.0958051 +1    17    16    10
  H     1.09035792 +1  119.8949279 +1 -178.8825100 +1    18    17    16
  H     1.09070678 +1  119.9820432 +1 -178.7260973 +1    20    19    18
  H     1.09532462 +1  121.0186700 +1   -3.4429309 +1    21    16    10
  H     1.10602268 +1  110.7905467 +1   76.3951593 +1    22    19    18
  H     1.09997624 +1  112.7649174 +1  -42.7709464 +1    22    19    18
  H     1.10063908 +1  113.2154953 +1 -164.2646070 +1    22    19    18
  H     1.09749454 +1  120.9102560 +1    1.5435158 +1    24    23    11
  H     1.09068514 +1  119.8582147 +1 -179.9381941 +1    25    24    23
  H     1.08987225 +1  119.9779757 +1 -178.8263358 +1    27    26    25
  H     1.09631076 +1  120.9306252 +1   -2.0720506 +1    28    23    11
  H     1.10466882 +1  111.1980946 +1   66.4893436 +1    29    26    25
  H     1.10188637 +1  112.0167624 +1  -52.5861925 +1    29    26    25
  H     1.09987736 +1  113.3798078 +1 -173.5051313 +1    29    26    25
  H     0.96402954 +1  110.4798117 +1    9.2855205 +1     9     1     2
  H     0.92811597 +1  144.7116749 +1  -36.6028363 +1     7     1     2
  H     1.09222592 +1  115.7501054 +1   36.9994726 +1     5     1     2
  H     1.08594639 +1   85.6944319 +1   -8.7416928 +1     8     1     2
  H     0.99580031 +1  119.2538077 +1  -66.1266966 +1     4     1     2
  H     1.00738483 +1  115.1897454 +1    2.1457236 +1     3     1     2