Accuracy

Gd_(PADEGA10) r   6863 Gadolinium complex, CCDC: PADEGA10 (Geo)

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    #  Species Formula
  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
  6858 Gadolinium complex, CCDC: UDOMOP (Geo)C16H28N5O9Gd
  6859 Gadolinium complex, CCDC: LASZOU (Geo)C17H28N5O9Gd
  6860 Gadolinium complex, CCDC: WALQAB (Geo)C18H30N5O9Gd
  6861 Gadolinium complex, CCDC: VETDON (Geo)C18H32N5O9Gd
  6862 Gadolinium complex, CCDC: YOVFIY01 (Geo)C28H36N5O9Gd
  6863 Gadolinium complex, CCDC: PADEGA10 (Geo) C14H14N7O9Gd
  6864 Gadolinium complex, CCDC: ZIPJIR (Geo)C17H28N5O10Gd
  6865 Gadolinium complex, CCDC: BIFZEV (Geo)C10H18N2O11Gd
  6866 Gadolinium complex, CCDC: WAVPAK (Geo)C42H56N6O11Gd
  6867 Gadolinium complex, CCDC: ZAXQAQ (Geo)C27H34N7O11Gd
  6868 Gadolinium complex, CCDC: LANITB (Geo)H6N3O12Gd
  6869 Gadolinium complex, CCDC: YIYLAT (Geo)C22H28N3O12Gd
  6870 Gadolinium complex, CCDC: LOKNEE (Geo)C18H24N4O12Gd
  6871 Gadolinium complex, CCDC: GIRKUN (Geo)C21H36N7O12Gd
  6872 Gadolinium complex, CCDC: XUBGUW (Geo)H22BC18N8O12Gd
  6873 Gadolinium complex, CCDC: NAVWIQ (Geo)C26H36N9O12Gd


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: PADEGA10
 <Gd-O2> <Gd-O3> <> <Gd-N4> <> <> <> <> <> <Gd-O6> <> <> <Gd-N7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.45340717 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.47304135 +1  159.7255835 +1    0.0000000 +0     1     2     0
  N     2.49948821 +1   81.4166830 +1  -77.9405252 +1     1     2     3
  O     2.15957420 +1  141.2709661 +1 -134.1355800 +1     3     1     2
  O     2.50879157 +1   90.9823939 +1   97.3152893 +1     1     2     3
  N     2.51248139 +1   98.3224275 +1 -146.5613854 +1     1     2     3
  O     2.15653987 +1  149.5803390 +1  108.8816833 +1     6     1     2
  N     3.77154469 +1   73.2933515 +1  -23.7884410 +1     1     2     3
  O     2.15842179 +1  156.4677119 +1 -162.8419764 +1     2     1     3
  N     3.75422942 +1  107.6307205 +1  159.7096582 +1     1     2     3
  C     1.34351038 +1  142.1165271 +1   79.3695843 +1     9     1     2
  C     1.40417967 +1  122.7220218 +1 -148.7162755 +1    12     9     1
  C     1.38905446 +1  118.5366583 +1   -0.2721780 +1    13    12     9
  C     1.39669312 +1  119.3266408 +1   -0.8214580 +1    14    13    12
  C     1.35276532 +1   95.9417940 +1  -74.4948477 +1     9     1     2
  C     1.32345674 +1  136.1746100 +1   62.8509521 +1     4     1     2
  C     1.52022547 +1  116.7145048 +1 -112.5316568 +1     4     1     2
  C     1.52257647 +1  115.9474331 +1   67.8206133 +1     7     1     2
  C     1.32546613 +1  136.7747161 +1 -117.4762199 +1     7     1     2
  C     1.35411033 +1   98.6336666 +1   98.6521221 +1    11     1     2
  C     1.40065461 +1  122.4449809 +1  170.6292133 +1    21    11     1
  C     1.39785418 +1  118.7433110 +1    1.0008013 +1    22    21    11
  C     1.38803182 +1  118.7912121 +1    0.6931423 +1    23    22    21
  C     1.34137546 +1  141.9432762 +1  -90.9321967 +1    11     1     2
  H     1.10140655 +1  116.6746261 +1   30.8105020 +1    12     9     1
  H     1.09045454 +1  120.8368126 +1  179.8553184 +1    13    12     9
  H     1.09286125 +1  120.8096785 +1 -179.8601430 +1    14    13    12
  H     1.08691893 +1  120.4316649 +1  179.9991984 +1    15    14    13
  H     1.12528304 +1  120.8081514 +1 -172.3840188 +1    17     4     1
  H     1.12816350 +1  109.9082930 +1  -95.1608402 +1    18     4     1
  H     1.12644447 +1  113.5529606 +1  151.2805516 +1    18     4     1
  H     1.12742143 +1  113.5386704 +1  149.9276599 +1    19     7     1
  H     1.12407075 +1  109.9380116 +1  -96.2217047 +1    19     7     1
  H     1.12591413 +1  120.4502304 +1 -170.4117995 +1    20     7     1
  H     1.08805887 +1  121.4449740 +1 -178.6053669 +1    22    21    11
  H     1.09121115 +1  120.6124041 +1 -179.4391608 +1    23    22    21
  H     1.09123091 +1  120.7830267 +1  179.9866634 +1    24    23    22
  H     1.11287232 +1  116.0017616 +1   14.5809287 +1    25    11     1
  N     1.30227317 +1  179.7804156 +1  103.5492351 +1     6     1     2
  N     1.31474681 +1  171.4779695 +1 -140.3769200 +1     3     1     2
  N     1.20999384 +1   32.4277643 +1 -163.3108048 +1    10     2     1
  O     1.20938550 +1  117.1811855 +1 -172.8969692 +1    41     3     1
  O     1.21379021 +1  117.6028191 +1 -174.5559484 +1    40     6     1
  O     1.22101413 +1  125.6091157 +1  177.7581596 +1    42    10     2