Accuracy

Gd_(ZZZARA01) r   6851 Gadolinium complex, CCDC: ZZZARA01 (Geo)

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    #  Species Formula
  6841 Gadolinium complex, CCDC: GIDQUF (Geo)C18H34N8O2Gd
  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


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: ZZZARA01
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <Gd-O6> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.40059999 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.40070002 +1   89.2092499 +1    0.0000000 +0     1     2     0
  O     2.40109995 +1   89.0363565 +1  -99.1097888 +1     1     2     3
  O     2.40120000 +1  177.7680662 +1  -65.4229904 +1     1     2     3
  O     2.40169995 +1   90.8357869 +1   96.3380404 +1     1     2     3
  O     2.40170003 +1   91.5564185 +1  166.3105466 +1     1     2     3
  O     4.65550722 +1   82.4614728 +1  -79.9404175 +1     1     2     3
  O     4.65317811 +1   92.7880013 +1   20.2204572 +1     1     2     3
  O     4.60975493 +1   91.4457011 +1  119.5614294 +1     1     2     3
  H     1.03091671 +1  133.7093324 +1  171.9414642 +1     5     1     2
  H     1.03145613 +1  133.7917276 +1   -6.9782449 +1     5     1     2
  H     0.98360743 +1  126.3604054 +1 -164.8104431 +1    10     1     2
  H     0.98376085 +1  125.8752165 +1  -10.0919443 +1    10     1     2
  H     0.99841282 +1  132.2664839 +1  -79.7763516 +1     3     1     2
  H     1.19202178 +1  139.8013144 +1  100.3121519 +1     3     1     2
  H     1.00779095 +1  132.7460895 +1  -88.7498641 +1     6     1     2
  H     1.13987767 +1  137.3917070 +1   91.4567877 +1     6     1     2
  H     0.99507825 +1  132.8681715 +1 -109.7429670 +1     4     1     2
  H     1.22349377 +1  140.3496738 +1   70.5975631 +1     4     1     2
  H     1.03064539 +1  133.3722513 +1   85.8726899 +1     2     1     3
  H     1.03097999 +1  133.9869890 +1  -93.0477775 +1     2     1     3
  H     1.02947619 +1  137.3056025 +1   88.3119486 +1     7     1     2
  H     1.03070496 +1  129.1832384 +1  -91.2064371 +1     7     1     2
  H     0.98728150 +1  123.0869725 +1  178.7104957 +1     8     1     2
  H     0.98715568 +1  123.6999630 +1  -37.5131065 +1     8     1     2
  H     0.98307587 +1  124.2170941 +1 -155.0950444 +1     9     1     2
  H     0.98300182 +1  124.3754463 +1   -6.4587741 +1     9     1     2