Accuracy

Gd_(PROPGD) r   6897 Gadolinium complex, CCDC: PROPGD (Geo)

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    #  Species Formula
  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
  6907 Terbium complex, CCDC: XAXXUP (Geo)C40H67N2O6Tb


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: PROPGD
 <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     2.37470003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.39450001 +1   76.1813817 +1    0.0000000 +0     1     2     0
  O     2.43399998 +1  146.8401436 +1   19.7574401 +1     1     2     3
  O     2.43566782 +1   91.2011383 +1   78.9152154 +1     1     2     3
  O     2.44103574 +1   82.3350787 +1 -155.8595876 +1     1     2     3
  O     2.18588181 +1   74.0520277 +1  155.1516977 +1     4     1     2
  O     2.46240003 +1  127.3190154 +1  -85.3728668 +1     1     2     3
  O     2.19756153 +1   74.2210376 +1  -79.6520945 +1     6     1     2
 Gd     2.77981752 +1  116.6505928 +1   81.6916073 +1     2     1     3
  O     2.18253464 +1   74.6182285 +1    5.4921100 +1     8     1     2
  O     2.50952689 +1   76.9719047 +1   79.6134788 +1    10     2     1
  O     2.57558982 +1   72.3494498 +1  -89.0802985 +1    10     2     1
  O     2.59084276 +1  129.3158105 +1 -153.8746253 +1    10     2     1
  O     2.20594841 +1  179.9935642 +1   29.3601773 +1     2     1     3
  O     2.19613861 +1   73.6733809 +1  145.8194929 +1    13    10     2
  O     2.54399807 +1  148.5897844 +1   43.6499107 +1    10     2     1
  O     2.19587958 +1   67.9940999 +1  -96.7646460 +1    14    10     2
  C     1.25878410 +1   31.5512200 +1 -177.8705802 +1     7     4     1
  C     1.54773545 +1  123.4772684 +1  177.9961994 +1    19     7     4
  C     1.51413047 +1  115.6288390 +1    4.7920679 +1    20    19     7
  C     1.26211068 +1   31.2252075 +1  178.5369021 +1     9     6     1
  C     1.56663458 +1  124.0936297 +1 -176.1490181 +1    22     9     6
  C     1.50823784 +1  112.6776619 +1   -6.1648689 +1    23    22     9
  C     1.24742459 +1   34.8875267 +1 -124.7361847 +1    15     2     1
  C     1.51018927 +1  122.2986453 +1  179.8124566 +1    25    15     2
  C     1.51960681 +1  115.7331549 +1   -6.0326505 +1    26    25    15
  C     1.25667055 +1  104.9354208 +1    3.5840160 +1     8     1     2
  C     1.51395967 +1  122.7953088 +1 -177.1071819 +1    28     8     1
  C     1.51989404 +1  115.8616294 +1    6.9355221 +1    29    28     8
  C     1.26696552 +1   97.4190818 +1  -97.4500859 +1    14    10     2
  C     1.25945920 +1   31.4358740 +1 -178.5892099 +1    16    13    10
  C     1.55129132 +1  123.1440119 +1 -175.5707565 +1    31    14    10
  C     1.56262908 +1  124.1260290 +1  176.2013841 +1    32    16    13
  C     1.51441786 +1  115.7922666 +1   -3.7595272 +1    33    31    14
  C     1.50810840 +1  112.6651485 +1    6.6763702 +1    34    32    16
  H     0.97603208 +1  110.4403325 +1   28.5211342 +1     5     1     2
  H     0.97275361 +1  112.1087509 +1  -10.4847750 +1     3     1     2
  H     1.10243128 +1  104.8564438 +1 -111.5027493 +1    20    19     7
  H     1.09795551 +1  109.3642022 +1  129.3801794 +1    20    19     7
  H     1.09488942 +1  109.9003848 +1   59.9168902 +1    21    20    19
  H     1.09419141 +1  109.9397773 +1  -59.8899683 +1    21    20    19
  H     1.09334360 +1  109.8136652 +1  179.9781275 +1    21    20    19
  H     1.10141607 +1  106.9800751 +1 -124.5857263 +1    23    22     9
  H     1.09625267 +1  109.4720856 +1  116.3174038 +1    23    22     9
  H     1.09467459 +1  109.9937212 +1   59.9399420 +1    24    23    22
  H     1.09541649 +1  109.9378119 +1  -59.9192289 +1    24    23    22
  H     1.09415454 +1  109.8811180 +1 -179.9802434 +1    24    23    22
  H     1.10535484 +1  105.5292336 +1 -121.7088411 +1    26    25    15
  H     1.10257073 +1  109.9115230 +1  117.9899319 +1    26    25    15
  H     1.09552376 +1  109.9616292 +1   59.9519865 +1    27    26    25
  H     1.09519451 +1  109.9810211 +1  -59.9225361 +1    27    26    25
  H     1.09356797 +1  109.8136578 +1  179.9964423 +1    27    26    25
  H     1.10694224 +1  105.1422106 +1 -108.9932197 +1    29    28     8
  H     1.09779402 +1  109.9653337 +1  131.3212629 +1    29    28     8
  H     1.09484308 +1  109.9525904 +1   59.9384587 +1    30    29    28
  H     1.09505394 +1  109.9250755 +1  -59.9046954 +1    30    29    28
  H     1.09319637 +1  109.8091333 +1  179.9993816 +1    30    29    28
  H     1.10357609 +1  104.7327696 +1 -119.9192936 +1    33    31    14
  H     1.09688087 +1  109.4219844 +1  121.0141958 +1    33    31    14
  H     1.09914257 +1  107.0767555 +1 -111.7811717 +1    34    32    16
  H     1.09821441 +1  109.2663008 +1  129.1356785 +1    34    32    16
  H     1.09440283 +1  109.9536380 +1   59.9270697 +1    35    33    31
  H     1.09471649 +1  109.9212470 +1  -59.9038001 +1    35    33    31
  H     1.09344892 +1  109.8196632 +1 -179.9937708 +1    35    33    31
  H     1.09525336 +1  109.9413976 +1   59.9249218 +1    36    34    32
  H     1.09476511 +1  109.9659265 +1  -59.9164749 +1    36    34    32
  H     1.09414338 +1  109.8677742 +1  179.9901990 +1    36    34    32
  H     0.97607170 +1  110.3752095 +1  -68.0649811 +1    17    10     2
  H     0.97797794 +1  110.0988863 +1 -131.3317447 +1    12    10     2
  H     1.05079786 +1  150.5031358 +1  116.6227748 +1    17    10     2
  H     0.94571143 +1  143.7502955 +1 -170.9090407 +1     5     1     2
  H     1.05931253 +1  132.8997891 +1  159.5011186 +1     3     1     2
  H     1.11975091 +1  159.7247031 +1   33.0770705 +1    12    10     2