Accuracy

Gd_(WALQAB) r   6860 Gadolinium complex, CCDC: WALQAB (Geo)

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    #  Species Formula
  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
  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


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: WALQAB
 <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     2.35629999 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36890003 +1   96.5222140 +1    0.0000000 +0     1     2     0
  O     2.38690000 +1   77.3808384 +1  173.7771948 +1     1     2     3
  O     2.39700000 +1  117.7669453 +1 -132.1667200 +1     1     2     3
  O     2.43159998 +1   81.2234595 +1   83.4345114 +1     1     2     3
  O     2.45399999 +1  179.9970255 +1   57.6924577 +1     1     2     3
  N     3.26231138 +1   64.7677457 +1  -76.5253669 +1     1     2     3
  N     2.85226712 +1   73.9036326 +1 -112.9330808 +1     7     1     2
  N     2.82412791 +1   87.1990785 +1   69.5425332 +1     4     1     2
  N     2.31788034 +1  147.3888182 +1  -81.3553624 +1     5     1     2
  N     2.29018370 +1  149.2070574 +1  179.5881981 +1     7     1     2
  O     2.23994050 +1  155.6556259 +1   67.5031091 +1     2     1     3
  O     2.24901019 +1  163.2600338 +1 -169.3939874 +1     3     1     2
  O     2.23603874 +1  171.2508948 +1   30.4039782 +1     4     1     2
  C     1.25403172 +1  137.3291515 +1  -34.8819931 +1     5     1     2
  C     1.46354149 +1   93.6188889 +1  107.1365369 +1    10     4     1
  C     1.47642143 +1  150.1810139 +1  -53.5021768 +1    10     4     1
  C     1.52731732 +1  123.9383697 +1  -95.5910506 +1     8     1     2
  C     1.53655517 +1  110.2677797 +1  139.9535209 +1     8     1     2
  C     1.50865009 +1  148.9300447 +1  -63.5838804 +1     9     7     1
  C     1.50500182 +1   61.8089807 +1 -148.2894038 +1     9     7     1
  C     1.24971859 +1  127.2553790 +1 -147.8172212 +1     7     1     2
  C     1.47326745 +1  101.7339966 +1 -119.6449270 +1    12     7     1
  C     1.53970120 +1  111.7486195 +1  114.1561111 +1    24    12     7
  C     1.52585658 +1  114.5054107 +1  -63.4573745 +1    25    24    12
  C     1.47098961 +1  101.5768594 +1 -109.9254186 +1    11     5     1
  C     1.48356578 +1   61.6533236 +1 -143.7041474 +1    10     4     1
  C     1.21522139 +1   27.6751862 +1   18.8640282 +1    15     4     1
  C     1.49496977 +1   96.9795755 +1   21.1541069 +1     8     1     2
  C     1.21093787 +1   27.7067507 +1    0.3313377 +1    13     2     1
  C     1.48850924 +1   98.1558123 +1  105.4937271 +1     9     7     1
  C     1.28735278 +1  140.7572376 +1 -144.2423970 +1     3     1     2
  H     1.00908819 +1  131.1002723 +1  -23.0604205 +1     6     1     2
  H     0.99757744 +1  127.1277415 +1  129.3952017 +1     6     1     2
  H     1.01865046 +1  145.9484817 +1   66.2054045 +1    12     7     1
  H     1.01931651 +1  146.3391589 +1   74.6523558 +1    11     5     1
  H     1.11137732 +1  114.0671611 +1 -157.2933425 +1    17    10     4
  H     1.12556089 +1  112.9209843 +1   83.1066849 +1    17    10     4
  H     1.12081657 +1  110.4932146 +1  -40.5601017 +1    18    10     4
  H     1.10954795 +1  113.7690479 +1 -158.6389359 +1    18    10     4
  H     1.11103083 +1  109.4305615 +1  -74.6548954 +1    19     8     1
  H     1.11526008 +1  110.4829614 +1  169.6989046 +1    19     8     1
  H     1.10934282 +1  110.8838343 +1  -82.2858449 +1    20     8     1
  H     1.11774907 +1  110.9065155 +1  162.2462304 +1    20     8     1
  H     1.11969536 +1  109.4454914 +1  -36.1803272 +1    21     9     7
  H     1.11038702 +1  112.2449651 +1 -152.1714741 +1    21     9     7
  H     1.12079206 +1  112.6795199 +1 -119.9918436 +1    22     9     7
  H     1.11483070 +1  112.4554689 +1  122.2403918 +1    22     9     7
  H     1.11265469 +1  111.1170498 +1  -11.0820556 +1    24    12     7
  H     1.12060929 +1  107.7153445 +1 -126.5789491 +1    24    12     7
  H     1.10645606 +1  110.2701021 +1   63.4014946 +1    25    24    12
  H     1.11681865 +1  107.3411007 +1  177.4076210 +1    25    24    12
  H     1.10672843 +1  111.1499550 +1 -150.2927150 +1    26    25    24
  H     1.10824525 +1  109.9232044 +1  -36.7221839 +1    26    25    24
  H     1.11102679 +1  109.6317731 +1  -36.7174927 +1    27    11     5
  H     1.11727444 +1  108.0395920 +1 -150.9209452 +1    27    11     5
  H     1.11505997 +1  113.7155238 +1 -134.7681905 +1    28    10     4
  H     1.11305970 +1  112.8523374 +1  107.1643083 +1    28    10     4
  H     1.11099196 +1  113.9363114 +1 -152.1992651 +1    30     8     1
  H     1.11460722 +1  112.7340568 +1   90.3837264 +1    30     8     1
  H     1.10901656 +1  114.1319829 +1  167.3383366 +1    32     9     7
  H     1.11913167 +1  113.3002354 +1   49.4806233 +1    32     9     7