Accuracy

Gd_(BIFZEV) r   6865 Gadolinium complex, CCDC: BIFZEV (Geo)

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    #  Species Formula
  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
  6863 Gadolinium complex, CCDC: PADEGA10 (Geo)C14H14N7O9Gd
  6864 Gadolinium complex, CCDC: ZIPJIR (Geo)C17H28N5O10Gd
  6865 Gadolinium complex, CCDC: BIFZEV (Geo) C10H18N2O11Gd
  6866 Gadolinium complex, CCDC: WAVPAK (Geo)C42H56N6O11Gd
  6867 Gadolinium complex, CCDC: ZAXQAQ (Geo)C27H34N7O11Gd
  6868 Gadolinium complex, CCDC: LANITB (Geo)H6N3O12Gd
  6869 Gadolinium complex, CCDC: YIYLAT (Geo)C22H28N3O12Gd
  6870 Gadolinium complex, CCDC: LOKNEE (Geo)C18H24N4O12Gd
  6871 Gadolinium complex, CCDC: GIRKUN (Geo)C21H36N7O12Gd
  6872 Gadolinium complex, CCDC: XUBGUW (Geo)H22BC18N8O12Gd
  6873 Gadolinium complex, CCDC: NAVWIQ (Geo)C26H36N9O12Gd
  6874 Gadolinium complex, CCDC: NIGHEQ (Geo)C46H34N14O12Gd
  6875 Gadolinium complex, CCDC: PUZHUN (Geo)C28H34N11O13Gd


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
Gadolinium complex, CCDC: BIFZEV
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <Gd-O7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.38070002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.38099999 +1   96.3660486 +1    0.0000000 +0     1     2     0
  O     2.40940000 +1   69.8882696 +1  129.0500355 +1     1     2     3
  O     2.41590003 +1  133.0610012 +1  -57.7385932 +1     1     2     3
  O     2.42479999 +1  151.9089692 +1  101.1851395 +1     1     2     3
  O     2.46899997 +1  119.3685397 +1 -144.1405574 +1     1     2     3
  O     4.33767364 +1   77.7299777 +1  -77.3364591 +1     1     2     3
  N     3.46383470 +1   60.7981524 +1   74.6413005 +1     1     2     3
  N     3.55982844 +1  108.9339496 +1   50.6191918 +1     1     2     3
  O     2.22852027 +1  158.9842283 +1  -97.8203938 +1     2     1     3
  O     2.21492028 +1  179.9975111 +1  150.8356222 +1     3     1     2
  O     2.20695145 +1  167.5145386 +1 -110.0098996 +1     6     1     2
  O     2.23056458 +1  179.9660042 +1  -81.0174751 +1     4     1     2
  C     1.50286173 +1  117.3822405 +1 -134.9386640 +1     9     1     2
  C     1.49527088 +1  114.6976991 +1   39.5015738 +1    10     1     2
  C     1.48736247 +1  107.4983511 +1  101.3515358 +1     9     1     2
  C     1.21738894 +1   27.3201620 +1    4.8146359 +1    14     4     1
  C     1.48673100 +1   97.3709771 +1  -12.8106211 +1     9     1     2
  C     1.21563032 +1   28.7720702 +1   32.8127897 +1    11     2     1
  C     1.49138305 +1  101.0438363 +1  161.5742212 +1    10     1     2
  C     1.22170174 +1   29.1072025 +1   49.1010306 +1    13     6     1
  C     1.48525308 +1  105.1733812 +1  -83.3405724 +1    10     1     2
  C     1.22128614 +1   28.6787129 +1  -41.8244464 +1    12     3     1
  H     1.11657256 +1  110.3363768 +1 -164.1444778 +1    15     9     1
  H     1.10742928 +1  110.9074520 +1   79.2857344 +1    15     9     1
  H     1.11483187 +1  111.2690099 +1 -162.5958077 +1    16    10     1
  H     1.11207338 +1  109.8818023 +1   80.9594457 +1    16    10     1
  H     1.11391035 +1  111.7710498 +1   95.8943428 +1    17     9     1
  H     1.10391826 +1  115.0170877 +1 -144.0138122 +1    17     9     1
  H     1.11617747 +1  113.0490384 +1  143.6232071 +1    19     9     1
  H     1.10842307 +1  112.6563389 +1  -98.1393365 +1    19     9     1
  H     1.10436860 +1  114.2425455 +1 -135.3449795 +1    21    10     1
  H     1.12337817 +1  110.4862440 +1  108.0869146 +1    21    10     1
  H     1.10612857 +1  115.1895121 +1  126.2956185 +1    23    10     1
  H     1.11853874 +1  112.4208243 +1 -114.9060455 +1    23    10     1
  H     0.96705266 +1  122.4925428 +1   95.2872715 +1     8     1     2
  H     0.96278709 +1  134.2986658 +1  -98.8468862 +1     8     1     2
  H     0.98913343 +1  132.4589098 +1 -144.4783800 +1     5     1     2
  H     1.00615535 +1  127.0747257 +1   43.8087959 +1     5     1     2
  H     1.01227179 +1  120.6873659 +1 -144.9085090 +1     7     1     2
  H     0.99132580 +1  138.6224326 +1   54.2294066 +1     7     1     2