Accuracy

Gd_(SERYOD) r   6901 Gadolinium complex, CCDC: SERYOD (Geo)

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    #  Species Formula
  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
  6908 Terbium complex, CCDC: NASTUW (Geo)C26H28N8O6Tb
  6909 Terbium complex, CCDC: LIFJEP (Geo)C38H26N12O6Tb
  6910 Terbium complex, CCDC: VAPTEL (Geo)C66H72N12O6Tb
  6911 Terbium complex, CCDC: VAPTEL01 (Geo)C66H72N12O6Tb


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: SERYOD
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <Gd-O7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34579995 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35490001 +1   85.1311384 +1    0.0000000 +0     1     2     0
  O     2.37650006 +1  143.3033363 +1   55.2148314 +1     1     2     3
  O     2.38519994 +1   80.8980257 +1 -138.8346087 +1     1     2     3
  O     2.41179999 +1   83.5360201 +1  152.2840567 +1     1     2     3
  O     2.42989998 +1   73.4451155 +1   79.9497686 +1     1     2     3
  O     2.56449477 +1  140.0411786 +1 -157.9379646 +1     1     2     3
  O     2.61329446 +1  126.0475165 +1  -63.2860267 +1     1     2     3
 Gd     3.56265571 +1  107.5871045 +1   63.2430594 +1     2     1     3
  O     2.21337134 +1   98.7864893 +1    0.0183136 +1     9     1     2
  O     2.26558087 +1  113.3632935 +1   22.8883946 +1     4     1     2
  O     2.22421715 +1  119.7022040 +1   36.5664447 +1     5     1     2
  O     2.23187865 +1  121.5713786 +1  -34.2588142 +1     3     1     2
  O     2.22468679 +1  154.6873114 +1   62.3712615 +1     2     1     3
  O     2.55227308 +1  132.5830468 +1   52.1643104 +1    10     2     1
  O     2.54464930 +1  141.4320740 +1  -64.1214039 +1    10     2     1
  O     2.57599462 +1  102.2774650 +1 -140.2474425 +1    10     2     1
  F     2.64168250 +1  156.8187276 +1 -173.0646041 +1     4     1     2
  F     2.11513749 +1   94.9727647 +1 -172.4247727 +1    19     4     1
  F     1.78296464 +1   76.1772046 +1  122.1585308 +1    19     4     1
  F     2.70531224 +1   87.2147703 +1 -160.8666344 +1    11     9     1
  F     2.11923007 +1   92.9160213 +1  -17.2951871 +1    22    11     9
  F     1.95447548 +1   73.4872558 +1  -78.0087487 +1    22    11     9
  F     2.78006268 +1  154.0520271 +1 -179.5704267 +1     3     1     2
  F     1.99852153 +1   73.6520491 +1 -129.0460035 +1    25     3     1
  F     1.95948414 +1   65.5884807 +1 -103.6698785 +1    26    25     3
  C     1.28726434 +1   61.3854483 +1  171.6277360 +1    19     4     1
  O     2.45717115 +1  118.1051709 +1  144.5059975 +1    10     2     1
  C     1.21571564 +1   25.2994562 +1 -172.8293776 +1    12     4     1
  C     1.30048871 +1   60.1475796 +1  -33.7993958 +1    22    11     9
  C     1.24685190 +1   27.0176439 +1 -175.9830512 +1    11     9     1
  C     1.28488938 +1   58.1319224 +1 -169.7710974 +1    25     3     1
  C     1.23416214 +1   26.2669467 +1  173.5006689 +1    14     3     1
  C     1.26145712 +1  179.9962925 +1   36.2660459 +1     2     1     3
  C     1.26243801 +1  143.7931816 +1   25.2013805 +1     5     1     2
  C     1.55898557 +1  116.5348490 +1 -151.6923131 +1    35     2     1
  C     1.54521313 +1  115.8637537 +1 -154.1931016 +1    36     5     1
  F     1.31038541 +1  114.7612731 +1   43.1146588 +1    37    35     2
  F     1.30813685 +1  115.1389407 +1  177.7630461 +1    37    35     2
  F     1.35189321 +1  108.0180875 +1  -66.7407452 +1    37    35     2
  F     1.30847876 +1  115.1377533 +1  125.6585011 +1    38    36     5
  F     1.33224782 +1  111.0292449 +1 -116.3764307 +1    38    36     5
  F     1.32184386 +1  114.5048667 +1   -4.0505233 +1    38    36     5
  C     1.27597240 +1  139.5521653 +1 -121.8328806 +1    29    10     2
  O     1.22126876 +1  128.5303685 +1  -10.8208350 +1    45    29    10
  C     1.55663194 +1  114.3027489 +1  176.2489967 +1    45    29    10
  F     1.31485332 +1  116.7088235 +1   21.5640181 +1    47    45    29
  F     1.29224946 +1  117.6447812 +1  170.4414387 +1    47    45    29
  F     1.39400489 +1  100.3875802 +1  -73.7318370 +1    47    45    29
  H     0.97381767 +1  110.5390218 +1   19.0656926 +1     8     1     2
  H     0.98126344 +1  110.2958454 +1   36.7212427 +1     6     1     2
  H     0.99059544 +1  109.8813869 +1 -117.6188844 +1    17    10     2
  H     0.98084191 +1  111.2283722 +1  -93.8809276 +1    18    10     2
  H     0.97512246 +1  110.1002592 +1   15.3030334 +1     7     1     2
  H     0.98743426 +1  111.6051305 +1  125.6052847 +1    16    10     2
  H     0.88387822 +1  153.5449817 +1   64.6826417 +1    17    10     2
  H     0.91529444 +1  113.2258734 +1  -94.3585181 +1    16    10     2
  H     0.98815529 +1  150.3074648 +1 -135.6921482 +1     6     1     2
  H     1.03981319 +1  103.9866314 +1  146.1968052 +1    18    10     2
  H     1.00259382 +1  139.9115953 +1  135.3351514 +1     7     1     2
  H     1.07934213 +1  148.5591341 +1 -163.8821674 +1     8     1     2