Accuracy

Gd_(FUHQUU) r   6877 Gadolinium complex, CCDC: FUHQUU (Geo)

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    #  Species Formula
  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
  6879 Gadolinium complex, CCDC: HEDMIM (Geo)C24H38N3O20Gd
  6880 Gadolinium complex, CCDC: LEJVEB (Geo)C12H16N6O20Gd
  6881 Gadolinium complex, CCDC: XIVFOX (Geo)C27H19N3O7F18Gd
  6882 Gadolinium complex, CCDC: FONMEA (Geo)C41H37N4O10F18Gd
  6883 Gadolinium complex, CCDC: ZIZNUR (Geo)C41H37N4O10F18Gd
  6884 Gadolinium complex, CCDC: WIRTUM (Geo)C39H105N4O3Si12Gd
  6885 Gadolinium complex, CCDC: JARBUZ (Geo)C14H25N3O14PSGd
  6886 Gadolinium complex, CCDC: GAKYAS (Geo)C14H26O12S2Gd
  6887 Gadolinium complex, CCDC: DIYNEE (Geo)C20H26O12S2Gd


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: FUHQUU
 <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     2.38819998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.38825873 +1   98.5416962 +1    0.0000000 +0     1     2     0
  O     2.38830001 +1   98.9807061 +1   82.8124529 +1     1     2     3
  O     2.38833701 +1   81.5368972 +1  -89.0725794 +1     1     2     3
  O     2.38859997 +1   78.5818222 +1  175.6911860 +1     1     2     3
  O     2.38860001 +1  159.0925108 +1 -146.6771426 +1     1     2     3
  O     3.42468082 +1   74.5798714 +1 -136.6134472 +1     1     2     3
  O     3.40052421 +1  142.4605097 +1  105.2787867 +1     1     2     3
  O     3.36581940 +1   50.1326293 +1   -0.0231356 +1     1     2     3
  O     2.27481767 +1  178.5247198 +1  148.4249351 +1     4     1     2
  C     1.39352333 +1  117.7765712 +1  151.0233146 +1     9     1     2
  H     1.10484877 +1  112.4616829 +1 -114.4061458 +1    12     9     1
  H     1.10600200 +1  112.6690725 +1  123.0796584 +1    12     9     1
  C     1.27868109 +1  152.5095919 +1 -134.3779381 +1     7     1     2
  C     1.39275882 +1  118.3300440 +1  178.6063331 +1    10     1     2
  H     1.10700856 +1  112.4761328 +1 -115.0365118 +1    16    10     1
  H     1.10600658 +1  112.6599074 +1  122.3155381 +1    16    10     1
  C     1.27969252 +1  151.3683199 +1   -2.9393240 +1     3     1     2
  C     1.39418319 +1  117.7661754 +1   91.3461434 +1     8     1     2
  H     1.10706630 +1  112.3943874 +1 -115.5642774 +1    20     8     1
  H     1.10422390 +1  112.8869347 +1  121.6515341 +1    20     8     1
  C     1.27815289 +1  153.9767314 +1  -78.5213344 +1     5     1     2
  C     1.22480955 +1   25.2489110 +1   13.6292384 +1    11     4     1
  O     2.27379758 +1  179.9972664 +1   66.3967002 +1     6     1     2
  C     1.39044257 +1  118.2914938 +1  -33.2794505 +1     9     1     2
  H     1.10529644 +1  112.7374290 +1 -114.8411224 +1    26     9     1
  H     1.10436141 +1  112.7179476 +1  122.3097318 +1    26     9     1
  C     1.22857740 +1   25.3784496 +1   12.0290931 +1    25     6     1
  O     1.22717314 +1  126.1142822 +1 -175.7034237 +1    23     5     1
  C     1.39071732 +1  118.4077101 +1  -89.0330573 +1     8     1     2
  H     1.10705197 +1  112.4037670 +1 -115.7862369 +1    31     8     1
  H     1.10234050 +1  113.0164378 +1  121.0143230 +1    31     8     1
  C     1.27584181 +1  148.4042659 +1   -2.5265374 +1     2     1     3
  O     1.22584000 +1  126.5651143 +1 -171.9503909 +1    15     7     1
  C     1.39098391 +1  116.8662056 +1   -1.5065753 +1    10     1     2
  H     1.10511592 +1  112.4330565 +1 -114.7981132 +1    36    10     1
  H     1.10389639 +1  112.6285897 +1  122.2609757 +1    36    10     1
  O     1.22637229 +1  126.8581137 +1 -174.6201634 +1    34     2     1
  O     1.22584257 +1  126.2297406 +1 -174.8490098 +1    19     3     1