Accuracy

Gd_(ACAQGD) r   6896 Gadolinium complex, CCDC: ACAQGD (Geo)

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    #  Species Formula
  6886 Gadolinium complex, CCDC: GAKYAS (Geo)C14H26O12S2Gd
  6887 Gadolinium complex, CCDC: DIYNEE (Geo)C20H26O12S2Gd
  6888 Gadolinium complex, CCDC: NIVQEO (Geo)C41H35N4O10F18Cl2G
  6889 Gadolinium complex, CCDC: ADUPEU (Geo)C27H24N4O3Cl3Gd
  6890 Gadolinium complex, CCDC: PALHAL (Geo)C54H66N8O6Gd2
  6891 Gadolinium complex, CCDC: ZUNCAM (Geo)C36H38N8O10Gd2
  6892 Gadolinium complex, CCDC: CULNIG10 (Geo)C36H24O12Gd2
  6893 Gadolinium complex, CCDC: EHAXEQ (Geo)C66H46N4O12Gd2
  6894 Gadolinium complex, CCDC: YEWGEM (Geo)C54H98O14Gd2
  6895 Gadolinium complex, CCDC: NIGXAC (Geo)C42H34N8O14Gd2
  6896 Gadolinium complex, CCDC: ACAQGD (Geo) C12H26O16Gd2
  6897 Gadolinium complex, CCDC: PROPGD (Geo)C18H38O16Gd2
  6898 Gadolinium complex, CCDC: LASZIO (Geo)C32H52N10O18Gd2
  6899 Gadolinium complex, CCDC: YAVSUJ (Geo)C10H14N8O22Gd2
  6900 Gadolinium complex, CCDC: COSTAF (Geo)C64H56N6O26Gd2
  6901 Gadolinium complex, CCDC: SERYOD (Geo)C12H12O18F18Gd2
  6902 Terbium complex, CCDC: XEXJIT (Geo)C27H27N4O3Tb
  6903 Terbium complex, CCDC: QAWHIF (Geo)C24H24B2N13O3Tb
  6904 Terbium complex, CCDC: NAXRAF (Geo)C32H28B2N13O3Tb
  6905 Terbium complex, CCDC: MIWTAN (Geo)C26H32N6O4Tb
  6906 Terbium complex, CCDC: DIFHEF (Geo)H41BC54N9O4Tb


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: ACAQGD
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <> <> <> <Gd-O8> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.36840001 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.38889996 +1   74.9006346 +1    0.0000000 +0     1     2     0
  O     2.40159998 +1   80.2179413 +1  -81.4763346 +1     1     2     3
  O     2.42740617 +1   97.7378586 +1  130.3374909 +1     1     2     3
  O     2.45984004 +1  125.0741396 +1 -147.7416541 +1     1     2     3
  O     2.18694324 +1   65.8033510 +1  -13.5025367 +1     6     1     2
  O     2.47559626 +1  145.9689691 +1   53.2150663 +1     1     2     3
 Gd     2.62160221 +1  116.9371703 +1  153.5684511 +1     4     1     2
  O     2.17696279 +1   66.6336220 +1  -67.2970424 +1     5     1     2
  O     2.16391062 +1   68.3407284 +1 -122.8597600 +1     8     1     2
  O     2.49884213 +1   73.5471773 +1  -82.2170452 +1     9     4     1
  O     2.41796806 +1   73.9662930 +1   84.4975954 +1     9     4     1
  O     2.18637086 +1  179.9974203 +1  144.1797104 +1     4     1     2
  O     2.18759534 +1   65.7615437 +1  152.7848079 +1    12     9     4
  O     2.39941036 +1  139.2514405 +1   42.8900109 +1     9     4     1
  O     2.46293528 +1  122.4980178 +1 -147.2158271 +1     9     4     1
  O     2.17686573 +1   66.6148253 +1 -106.1351787 +1    17     9     4
  C     1.24880550 +1  100.2828042 +1 -123.2475233 +1     8     1     2
  C     1.50428824 +1  120.5626590 +1 -179.3562081 +1    19     8     1
  H     0.95307048 +1  106.0385935 +1   96.3269131 +1    20    19     8
  H     1.15189158 +1  101.4608279 +1 -124.2731589 +1    20    19     8
  H     0.97170643 +1  110.0727352 +1   -2.2016657 +1    20    19     8
  C     1.26441668 +1   94.8583982 +1  -12.8184079 +1     6     1     2
  C     1.52125883 +1  119.3450213 +1  177.6212472 +1    24     6     1
  H     1.00686734 +1   92.4355368 +1  -62.5604408 +1    25    24     6
  H     1.14771600 +1  117.3552193 +1   69.8600377 +1    25    24     6
  H     0.91144440 +1  121.9212132 +1  176.7552426 +1    25    24     6
  C     1.26542109 +1   96.5673810 +1  -68.9475150 +1     5     1     2
  C     1.51667947 +1  120.2920547 +1 -177.7840677 +1    29     5     1
  H     1.15198927 +1  102.0664161 +1  -51.4325479 +1    30    29     5
  H     0.79488224 +1  118.8977209 +1   63.6906603 +1    30    29     5
  H     1.10385284 +1  111.1648335 +1 -168.7458511 +1    30    29     5
  H     0.77969171 +1  128.1176153 +1 -174.2252219 +1     2     1     3
  H     0.87190938 +1  121.7026253 +1   34.1223898 +1     2     1     3
  H     0.87538063 +1  119.0476238 +1 -107.6437864 +1     3     1     2
  H     1.20106639 +1  152.9511251 +1   63.4971797 +1     3     1     2
  C     1.24818034 +1   33.4174357 +1 -169.6883452 +1    14     4     1
  C     1.26485682 +1   94.8266826 +1  152.0452612 +1    12     9     4
  C     1.26546382 +1   96.5813210 +1 -104.4749793 +1    17     9     4
  H     0.78009043 +1  128.0626681 +1 -144.6658112 +1    16     9     4
  H     0.87188822 +1  121.7071518 +1    6.9557500 +1    16     9     4
  H     0.87569480 +1  119.0412606 +1  -45.8918983 +1    13     9     4
  H     1.20112728 +1  152.9560807 +1  143.1126084 +1    13     9     4
  C     1.50430683 +1  120.4869965 +1 -179.8098850 +1    38    14     4
  C     1.52096062 +1  119.3057863 +1 -177.6430669 +1    39    12     9
  C     1.51620067 +1  120.2856427 +1  177.8381666 +1    40    17     9
  H     0.95337886 +1  106.0868945 +1  -96.2611348 +1    45    38    14
  H     1.15200286 +1  101.4678995 +1  124.2666897 +1    45    38    14
  H     0.97178838 +1  110.0719776 +1    2.2111215 +1    45    38    14
  H     1.00709153 +1   92.4337361 +1   62.6613680 +1    46    39    12
  H     1.14706889 +1  117.4143197 +1  -69.8503246 +1    46    39    12
  H     0.91203524 +1  121.8781510 +1 -176.7769355 +1    46    39    12
  H     1.15136196 +1  102.1211377 +1   51.3979100 +1    47    40    17
  H     0.79470868 +1  118.8848025 +1  -63.8689039 +1    47    40    17
  H     1.10457774 +1  111.1205451 +1  168.7171786 +1    47    40    17