Accuracy

Gd_(FUXPUJ) r   6852 Gadolinium complex, CCDC: FUXPUJ (Geo)

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    #  Species Formula
  6842 Gadolinium complex, CCDC: MIPTOU (Geo)C27H27N4O3Gd
  6843 Gadolinium complex, CCDC: DIQBIO (Geo)C28H24B2N17O3Gd
  6844 Gadolinium complex, CCDC: VEDSEC (Geo)C26H32N6O4Gd
  6845 Gadolinium complex, CCDC: GEGCIE (Geo)C20H42N8O5Gd
  6846 Gadolinium complex, CCDC: WAXCIH (Geo)C11H23N7O6Gd
  6847 Gadolinium complex, CCDC: WUCCOM (Geo)C20H25N3O7Gd
  6848 Gadolinium complex, CCDC: DUFBEL (Geo)C25H39N2O8Gd
  6849 Gadolinium complex, CCDC: LOQKEH (Geo)C24H37N6O8Gd
  6850 Gadolinium complex, CCDC: BUVVOD01 (Geo)H18O9Gd
  6851 Gadolinium complex, CCDC: ZZZARA01 (Geo)H18O9Gd
  6852 Gadolinium complex, CCDC: FUXPUJ (Geo) C6H24O9Gd
  6853 Gadolinium complex, CCDC: GINPOI (Geo)C8H26O9Gd
  6854 Gadolinium complex, CCDC: VIGBOC (Geo)C18H30N3O9Gd
  6855 Gadolinium complex, CCDC: JOPJIH01 (Geo)C16H26N4O9Gd
  6856 Gadolinium complex, CCDC: GODMER (Geo)C15H17N5O9Gd
  6857 Gadolinium complex, CCDC: UDOMIJ (Geo)C16H28N5O9Gd
  6858 Gadolinium complex, CCDC: UDOMOP (Geo)C16H28N5O9Gd
  6859 Gadolinium complex, CCDC: LASZOU (Geo)C17H28N5O9Gd
  6860 Gadolinium complex, CCDC: WALQAB (Geo)C18H30N5O9Gd
  6861 Gadolinium complex, CCDC: VETDON (Geo)C18H32N5O9Gd
  6862 Gadolinium complex, CCDC: YOVFIY01 (Geo)C28H36N5O9Gd


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
Gadolinium complex, CCDC: FUXPUJ
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O*> <> <> <Gd-O6> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.40654188 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.43960001 +1  114.4011744 +1    0.0000000 +0     1     2     0
  O     2.44180005 +1   94.0275891 +1   61.9239699 +1     1     2     3
  O     2.44649995 +1  162.1085704 +1 -107.4309369 +1     1     2     3
  O     2.45090000 +1   92.8104100 +1  160.4503265 +1     1     2     3
  O     2.45560000 +1   57.5043980 +1  -98.5771737 +1     1     2     3
  O     4.67985322 +1  159.6897616 +1  -31.3535613 +1     1     2     3
  O     7.38532287 +1   80.1405425 +1   44.2932300 +1     1     2     3
  O     4.60696934 +1   96.1863342 +1   34.2943135 +1     1     2     3
  H     8.21125223 +1   95.7719700 +1  -52.9971906 +1     2     1     3
  H     1.89044832 +1  158.6625974 +1   62.8973267 +1    11     2     1
  C     1.54760249 +1  147.2655835 +1   11.6887087 +1     3     1     2
  C     1.42103968 +1   84.4392573 +1 -126.7048265 +1    10     1     2
  C     1.42874887 +1  124.2240082 +1   -9.6138490 +1    10     1     2
  C     1.43402504 +1   63.9862652 +1 -141.2586460 +1     9     1     2
  C     1.40810249 +1  179.9912356 +1   65.1723537 +1     9     1     2
  C     1.10646249 +1  129.0090975 +1   43.9872603 +1    11     2     1
  H     1.10677574 +1  107.0017004 +1  -19.0579177 +1    13     3     1
  H     1.11879894 +1  105.2461886 +1 -134.7574724 +1    13     3     1
  H     1.11248019 +1  103.2010799 +1  -89.0838982 +1    14    10     1
  H     1.11559545 +1  111.0596577 +1  157.9114175 +1    14    10     1
  H     1.11222824 +1  104.4730941 +1   40.3944696 +1    15    10     1
  H     1.10352742 +1  111.7250449 +1  -76.5909391 +1    15    10     1
  H     1.10878004 +1  107.7448072 +1  -91.3975422 +1    16     9     1
  H     1.10407691 +1  111.7102867 +1  147.5340612 +1    16     9     1
  H     1.14357765 +1  112.1494111 +1 -156.5989444 +1    17     9     1
  H     1.14695568 +1  110.7246928 +1   92.3463101 +1    17     9     1
  H     1.01167553 +1  132.2867087 +1  -51.0172909 +1     5     1     2
  H     1.09885441 +1  136.7160680 +1  123.4303373 +1     5     1     2
  H     1.09337722 +1  101.0962436 +1    0.5185333 +1     7     1     2
  H     0.99453954 +1  158.0724186 +1 -171.1179640 +1     7     1     2
  H     0.97704398 +1  125.9026249 +1  147.5220079 +1     8     1     2
  H     0.97909068 +1  126.0758318 +1  -57.5340744 +1     8     1     2
  H     1.04694538 +1  128.0785143 +1  -93.8585496 +1     4     1     2
  H     1.00789114 +1  136.7495682 +1   77.6709314 +1     4     1     2
  H     1.03149986 +1  127.7179948 +1   14.6093849 +1     6     1     2
  H     1.02118344 +1  138.4446608 +1 -164.5143805 +1     6     1     2
  H     1.02139657 +1  115.7264937 +1 -168.8263974 +1     3     1     2
  H     0.94211904 +1  168.9474713 +1  -80.9433530 +1     2     1     3