Accuracy

Gd_(WUCCOM) r   6847 Gadolinium complex, CCDC: WUCCOM (Geo)

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    #  Species Formula
  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
  6852 Gadolinium complex, CCDC: FUXPUJ (Geo)C6H24O9Gd
  6853 Gadolinium complex, CCDC: GINPOI (Geo)C8H26O9Gd
  6854 Gadolinium complex, CCDC: VIGBOC (Geo)C18H30N3O9Gd
  6855 Gadolinium complex, CCDC: JOPJIH01 (Geo)C16H26N4O9Gd
  6856 Gadolinium complex, CCDC: GODMER (Geo)C15H17N5O9Gd
  6857 Gadolinium complex, CCDC: UDOMIJ (Geo)C16H28N5O9Gd


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=1.0
Gadolinium complex, CCDC: WUCCOM
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <> <> <> <Gd-N8> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31980003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.38239999 +1  160.9015790 +1    0.0000000 +0     1     2     0
  O     2.41850003 +1   75.7318932 +1   77.9519483 +1     1     2     3
  O     2.46013818 +1  117.9419259 +1  -94.8955841 +1     1     2     3
  O     2.47170003 +1   74.2165310 +1   -1.4966684 +1     1     2     3
  O     2.22771663 +1  122.9909801 +1  159.2283205 +1     5     1     2
  N     2.57610000 +1  115.1201809 +1  155.9083235 +1     1     2     3
  N     3.59331091 +1   62.8415169 +1  169.0505061 +1     1     2     3
  N     3.88564205 +1   42.4476410 +1   39.5930866 +1     1     2     3
  C     1.36564427 +1  115.5896821 +1  176.6380806 +1     8     1     2
  C     1.41203935 +1  127.0489554 +1  164.7919027 +1    11     8     1
  C     1.36956935 +1  118.6809111 +1   -3.6129804 +1    12    11     8
  C     1.41304562 +1  117.8384250 +1    7.0776822 +1    13    12    11
  C     1.43488416 +1  117.1941423 +1  179.4587537 +1    14    13    12
  C     1.35359654 +1  120.9480283 +1 -171.4745646 +1    15    14    13
  C     1.42940868 +1  119.1574979 +1    3.3458384 +1    16    15    14
  C     1.41772674 +1  119.9577610 +1  171.6724734 +1    17    16    15
  C     1.37166890 +1  119.5443650 +1 -175.3291302 +1    18    17    16
  C     1.33261828 +1  133.5911358 +1   11.9058041 +1     9     1     2
  C     1.37005524 +1  100.5983636 +1 -138.7930385 +1     9     1     2
  C     1.42517420 +1  131.5237463 +1  -12.6384825 +1     8     1     2
  C     1.46552607 +1  102.9804580 +1  120.1078514 +1    10     1     2
  C     1.53242927 +1  141.8368224 +1   10.7121086 +1     4     1     2
  C     1.46532473 +1  103.6692314 +1 -118.5943679 +1    10     1     2
  C     1.52014881 +1  142.5389149 +1   -4.6086407 +1     6     1     2
  C     1.46900304 +1  100.7839868 +1    1.0928189 +1    10     1     2
  C     1.29338963 +1  164.5168403 +1  -79.0045294 +1     2     1     3
  O     1.21356101 +1  124.4803305 +1 -127.1471234 +1    28     2     1
  C     1.25320013 +1  153.7511607 +1  160.5218942 +1     5     1     2
  C     1.48274981 +1  126.2346451 +1  178.0340972 +1    30     5     1
  H     1.11425854 +1  120.4364805 +1  -13.8618477 +1    11     8     1
  H     1.09228122 +1  119.5611805 +1  178.3639928 +1    12    11     8
  H     1.09489006 +1  121.8964706 +1 -174.5216913 +1    13    12    11
  H     1.09393387 +1  117.9023926 +1    8.3202407 +1    15    14    13
  H     1.09340294 +1  121.9239039 +1 -178.8174714 +1    16    15    14
  H     1.09349311 +1  119.1697884 +1    3.8516289 +1    18    17    16
  H     1.09119430 +1  122.2132789 +1  179.7523350 +1    19    18    17
  H     1.10960239 +1  117.6362259 +1   33.8177340 +1    20     9     1
  H     1.11229187 +1  111.9577151 +1  100.0027600 +1    23    10     1
  H     1.11892714 +1  113.4535054 +1 -141.5650320 +1    23    10     1
  H     1.11006163 +1  105.7822119 +1  156.8011916 +1    24     4     1
  H     1.10520869 +1  106.4999487 +1   40.4838757 +1    24     4     1
  H     1.11839801 +1  113.4320228 +1  143.4748547 +1    25    10     1
  H     1.11240504 +1  111.8562405 +1  -98.1787126 +1    25    10     1
  H     1.10986595 +1  106.4061370 +1 -161.6073565 +1    26     6     1
  H     1.10637205 +1  106.2838724 +1  -45.2586247 +1    26     6     1
  H     1.11253540 +1  113.3580258 +1  127.1859178 +1    27    10     1
  H     1.11126473 +1  113.2155428 +1 -113.4228014 +1    27    10     1
  H     1.10550789 +1  113.0710402 +1  -44.0027615 +1    31    30     5
  H     1.10784387 +1  111.8841704 +1 -165.0851571 +1    31    30     5
  H     1.10718353 +1  111.7338795 +1   75.9299095 +1    31    30     5
  H     1.00805589 +1  119.2615308 +1 -157.5866046 +1     4     1     2
  H     1.00740293 +1  117.7755737 +1  168.6500024 +1     6     1     2
  H     0.93453583 +1  155.0502631 +1   61.5270333 +1     3     1     2
  H     1.74404038 +1  120.3135369 +1 -103.7222811 +1     3     1     2