Accuracy

Gd_(BUVVOD01) r   6850 Gadolinium complex, CCDC: BUVVOD01 (Geo)

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    #  Species Formula
  6840 Gadolinium complex, CCDC: YEGTOT (Geo)C64H32N16Gd
  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


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: BUVVOD01
 <Gd-O2> <Gd-O2> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <Gd-O6> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.39739997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.39739997 +1   89.0432529 +1    0.0000000 +0     1     2     0
  O     2.39799995 +1  177.1436296 +1   67.5608036 +1     1     2     3
  O     2.39801433 +1   88.8446424 +1  100.4381384 +1     1     2     3
  O     2.39830005 +1   91.2311610 +1  -95.4002133 +1     1     2     3
  O     2.39830007 +1   91.4958885 +1 -165.1631292 +1     1     2     3
  O     4.65522844 +1   81.8112727 +1   81.5427936 +1     1     2     3
  O     4.60105424 +1   91.6342881 +1 -118.8498616 +1     1     2     3
  O     4.65629348 +1   92.1968989 +1  -20.0872028 +1     1     2     3
  H     0.98803036 +1  124.1796510 +1   41.2955110 +1     8     1     2
  H     1.22986057 +1  140.6926903 +1  -69.2730419 +1     5     1     2
  H     0.99409646 +1  132.6952055 +1  110.8600531 +1     5     1     2
  H     0.98787471 +1  122.4317570 +1 -175.4495064 +1     8     1     2
  H     0.98394651 +1  126.0570247 +1   10.6349333 +1     9     1     2
  H     0.98394524 +1  126.5730209 +1  166.0501625 +1     9     1     2
  H     0.98371465 +1  123.9529528 +1    8.6870101 +1    10     1     2
  H     0.98360582 +1  123.8575852 +1  155.2544415 +1    10     1     2
  H     1.03066105 +1  129.1939577 +1   91.2632705 +1     7     1     2
  H     1.02957325 +1  137.2980682 +1  -88.1978471 +1     7     1     2
  H     1.03094741 +1  133.9928814 +1   85.6030609 +1     2     1     3
  H     1.03050082 +1  133.3113762 +1  -93.5519636 +1     2     1     3
  H     1.03129401 +1  133.4492086 +1    9.8127051 +1     4     1     2
  H     1.03118641 +1  134.0366175 +1 -168.2534103 +1     4     1     2
  H     1.13782316 +1  137.1831124 +1  -91.1371672 +1     6     1     2
  H     1.00832524 +1  132.9357719 +1   89.0204812 +1     6     1     2
  H     1.19577109 +1  140.0700510 +1  -99.1684617 +1     3     1     2
  H     0.99783405 +1  132.1847786 +1   80.5133324 +1     3     1     2