Accuracy

Gd_(GIDQUF) r   6841 Gadolinium complex, CCDC: GIDQUF (Geo)

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    #  Species Formula
  6831 Europium complex, CCDC: MIHPUO (Geo)C45H21N3O15F36Eu2
  6832 Europium complex, CCDC: MIHPOI (Geo)C34H6O16F42Eu2
  6833 Europium complex, CCDC: FUZZOP (Geo)C17H50N4O16S3Eu2
  6834 Gadolinium complex, CCDC: YUWZOF (Geo)C33H27N6Gd
  6835 Gadolinium complex, CCDC: WEWNOB (Geo)C51H51N6Gd
  6836 Gadolinium complex, CCDC: ZAZQEW (Geo)C76H44N12Gd
  6837 Gadolinium complex, CCDC: ZENGUU (Geo)C48H24N13Gd
  6838 Gadolinium complex, CCDC: GAWBEL (Geo)C64H32N16Gd
  6839 Gadolinium complex, CCDC: OBUJIE (Geo)C64H32N16Gd
  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


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: GIDQUF
 <Gd-O2> <Gd-O3> <> <Gd-N4> <> <> <Gd-N5> <> <> <Gd-N6> <> <> <Gd-N7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.43339998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.46600002 +1   62.5125908 +1    0.0000000 +0     1     2     0
  N     2.56269887 +1   59.4094840 +1 -153.9268190 +1     1     2     3
  N     2.56668454 +1   66.4996908 +1  125.7973927 +1     1     2     3
  N     2.56961391 +1  105.5361450 +1  -49.8020289 +1     1     2     3
  N     2.60060000 +1  115.5357039 +1   25.1795413 +1     1     2     3
  N     4.30683531 +1   42.0363667 +1   30.1501805 +1     1     2     3
  N     4.31533483 +1   30.5728642 +1  -40.9321295 +1     1     2     3
  N     3.14510076 +1   79.6759733 +1  -40.8795310 +1     6     1     2
  N     3.14798306 +1   79.8074876 +1  -88.4282780 +1     5     1     2
  C     1.49772951 +1   59.2430232 +1 -171.8776471 +1    10     6     1
  H     2.18286372 +1  143.8064092 +1   28.3005726 +1     7     1     2
  H     1.11823282 +1  109.1030018 +1 -109.8176469 +1    12    10     6
  C     1.52046779 +1  132.3521891 +1  -65.5822892 +1     6     1     2
  H     1.12371941 +1  108.3062027 +1  -83.3933441 +1    15     6     1
  C     1.47203640 +1  109.4745004 +1  111.4102979 +1     8     1     2
  H     2.14565106 +1  148.5395984 +1   53.8945692 +1    11     5     1
  C     1.30854439 +1  111.8345237 +1  105.5537573 +1     6     1     2
  H     1.12270582 +1  124.6975580 +1 -173.1784231 +1    19     6     1
  C     1.30728762 +1  110.3749262 +1  -89.6726108 +1     7     1     2
  H     1.12191576 +1  124.6365680 +1  166.8288948 +1    21     7     1
  C     1.12303493 +1   41.0175290 +1   85.6092469 +1    13     7     1
  C     1.50024213 +1  114.9018197 +1  -70.0074196 +1    11     5     1
  H     1.11313483 +1  111.3922939 +1  -40.4828228 +1    24    11     5
  H     1.12255703 +1  111.5560643 +1  135.6369171 +1    12    10     6
  H     1.12561227 +1  111.6189115 +1 -153.9682473 +1    24    11     5
  C     1.50354423 +1  136.7298038 +1  101.5304171 +1    10     6     1
  H     1.11728636 +1  109.0554049 +1 -129.9924905 +1    28    10     6
  H     1.12320117 +1  111.2903993 +1  114.3553692 +1    28    10     6
  C     1.47179609 +1  109.9014994 +1 -128.0914318 +1     9     1     2
  H     1.12069084 +1  109.4853608 +1  -80.0125755 +1    31     9     1
  H     1.12796085 +1  110.0574302 +1  164.3580427 +1    31     9     1
  C     1.29293449 +1  118.3027285 +1   85.4816220 +1     9     1     2
  H     1.11654062 +1  123.7540924 +1  144.3163858 +1    34     9     1
  C     1.29278822 +1  118.0766607 +1  -32.9749816 +1     8     1     2
  H     1.11645897 +1  123.7047839 +1  142.0201349 +1    36     8     1
  H     1.12800174 +1  109.9287143 +1  165.2686434 +1    17     8     1
  H     1.12084620 +1  109.4715927 +1  -79.1797274 +1    17     8     1
  C     1.11785444 +1   41.4755123 +1   87.7547368 +1    18    11     5
  H     1.12776650 +1  110.8550608 +1  164.3790925 +1    15     6     1
  H     1.12303609 +1  105.2675246 +1  119.4539743 +1    40    18    11
  C     1.50035802 +1  115.1138096 +1  -68.6070936 +1    10     6     1
  H     1.11371162 +1  111.3992375 +1  -41.7332823 +1    43    10     6
  H     1.12608071 +1  111.5823551 +1 -155.0619522 +1    43    10     6
  C     1.52960631 +1  132.9310139 +1   94.0010776 +1     4     1     2
  H     1.12320273 +1  109.8511003 +1 -125.5714046 +1    46     4     1
  H     1.12869296 +1  108.5706374 +1  120.9853892 +1    46     4     1
  C     1.30842591 +1  111.2804871 +1  -66.9774435 +1     4     1     2
  H     1.12269552 +1  124.6637763 +1  168.9973153 +1    49     4     1
  C     1.30754024 +1  111.7044378 +1   58.8700118 +1     5     1     2
  H     1.12268178 +1  124.9460315 +1 -173.5004292 +1    51     5     1
  C     1.52113261 +1  132.3841538 +1 -112.7108198 +1     5     1     2
  H     1.12353090 +1  108.2975029 +1  -82.7120266 +1    53     5     1
  H     1.12778893 +1  110.8244068 +1  164.9410660 +1    53     5     1
  C     1.58638698 +1  120.9108256 +1   42.5886371 +1    53     5     1
  H     1.11813453 +1  106.6351523 +1   94.8409127 +1    56    53     5
  H     1.12265185 +1  105.7268119 +1 -154.5508732 +1    56    53     5
  H     1.39959813 +1  117.9650719 +1   48.3591838 +1     3     1     2
  H     0.94385063 +1  145.1519722 +1 -111.6114705 +1     3     1     2
  H     0.94533363 +1  146.9341701 +1 -144.7196400 +1     2     1     3
  H     1.40864586 +1  118.7194170 +1   48.6185762 +1     2     1     3
  H     1.12821035 +1  104.3167979 +1  116.2715998 +1    23    13     7