Accuracy

Gd_(LANITB) r   6868 Gadolinium complex, CCDC: LANITB (Geo)

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    #  Species Formula
  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
  6876 Gadolinium complex, CCDC: PEBDOP (Geo)C8H20O15Gd
  6877 Gadolinium complex, CCDC: FUHQUU (Geo)C12H12O15Gd
  6878 Gadolinium complex, CCDC: TUFLUB (Geo)C12H15O15Gd


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
Gadolinium complex, CCDC: LANITB
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.30419998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.41256703 +1  101.5862280 +1    0.0000000 +0     1     2     0
  O     2.41669995 +1   96.7824907 +1 -179.5368483 +1     1     2     3
  O     2.42311991 +1   97.1314339 +1  113.0470845 +1     1     2     3
  O     2.43643924 +1   84.5380453 +1 -105.6270569 +1     1     2     3
  O     2.15833895 +1  162.8889041 +1 -162.4599114 +1     6     1     2
  O     2.15677427 +1  149.9310142 +1 -106.0837775 +1     5     1     2
  O     4.46348923 +1  160.7875963 +1  168.1039983 +1     1     2     3
  O     2.15781569 +1  162.6331331 +1  173.5074227 +1     3     1     2
  N     1.20446772 +1   33.1824270 +1  178.6366571 +1     7     6     1
  N     1.32415551 +1  179.8765738 +1 -101.4638996 +1     5     1     2
  N     1.20526319 +1   33.4581445 +1 -179.1069142 +1    10     3     1
  O     1.22057124 +1  126.6660860 +1 -178.3520106 +1    11     7     6
  O     1.21288458 +1  116.4701767 +1  175.4999752 +1    12     5     1
  O     1.21410320 +1  127.1604204 +1  179.5496830 +1    13    10     3
  H     0.96458905 +1  124.0474001 +1  123.7364136 +1     9     1     2
  H     0.96424097 +1  130.8568619 +1  -68.9758650 +1     9     1     2
  H     1.01900444 +1  133.6878905 +1 -111.2586505 +1     2     1     3
  H     1.02814161 +1  129.7726644 +1   70.8194835 +1     2     1     3
  H     1.00108418 +1  130.7907283 +1   36.6045102 +1     4     1     2
  H     1.01078290 +1  130.6765216 +1 -135.4823130 +1     4     1     2