Accuracy

Gd_(VIGBOC) r   6854 Gadolinium complex, CCDC: VIGBOC (Geo)

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    #  Species Formula
  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
  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


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: VIGBOC
 <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     2.30991744 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.32790282 +1  132.4028715 +1    0.0000000 +0     1     2     0
  O     2.34114575 +1   96.0362113 +1 -167.8074031 +1     1     2     3
  O     2.46670005 +1  125.6785798 +1  127.1772465 +1     1     2     3
  O     2.50730002 +1  104.8744486 +1  -76.9787384 +1     1     2     3
  O     2.60890000 +1   69.2339522 +1   37.9887744 +1     1     2     3
  N     3.08480387 +1   63.7862770 +1  103.4360803 +1     1     2     3
  N     3.29987764 +1   85.7765982 +1  -21.1342460 +1     1     2     3
  N     3.20194303 +1  144.0251099 +1 -139.3017263 +1     1     2     3
  O     2.23475485 +1  155.6970020 +1 -141.9330138 +1     2     1     3
  O     2.25124610 +1  171.6286921 +1 -156.6308233 +1     4     1     2
  O     2.24418105 +1  179.9950640 +1  -16.2358000 +1     3     1     2
  C     1.48383703 +1  105.6024760 +1   46.8396212 +1     9     1     2
  C     1.50496165 +1  126.8903655 +1 -103.4484622 +1     7     1     2
  C     1.48589575 +1  125.7590898 +1   53.6038001 +1     7     1     2
  C     1.49242919 +1  112.3173305 +1  -93.4674570 +1     8     1     2
  C     1.20799686 +1   28.0976705 +1   30.5966440 +1    11     2     1
  C     1.50023992 +1  101.7340646 +1   23.3116098 +1     8     1     2
  C     1.49846878 +1  103.7545171 +1  142.6404605 +1     8     1     2
  C     1.49351951 +1  124.5781505 +1  -30.1287304 +1     5     1     2
  C     1.21085431 +1   26.5623303 +1  -52.2631088 +1    12     4     1
  C     1.47921139 +1  113.2249118 +1  -31.6687384 +1    10     1     2
  C     1.50624212 +1  126.3920734 +1  149.4805251 +1     5     1     2
  C     1.49932815 +1   98.1696073 +1 -146.8844975 +1    10     1     2
  C     1.48158725 +1  105.9698509 +1   92.7329112 +1    10     1     2
  C     1.51990176 +1  125.5639710 +1 -131.8695163 +1     6     1     2
  C     1.21240004 +1   27.0293934 +1  -14.6734580 +1    13     3     1
  C     1.48354309 +1  111.9914627 +1  168.8161038 +1     9     1     2
  C     1.50741616 +1  130.7019336 +1   63.0130129 +1     6     1     2
  C     1.48939714 +1  101.3357873 +1  -75.1028310 +1     9     1     2
  H     1.11434460 +1  113.9359143 +1  165.7688782 +1    14     9     1
  H     1.12030529 +1  110.8686482 +1  -78.0638298 +1    14     9     1
  H     1.11287092 +1  111.1154143 +1  157.4607567 +1    15     7     1
  H     1.11404313 +1  104.3229424 +1  -88.6055067 +1    15     7     1
  H     1.11067474 +1  110.1391006 +1  168.1694671 +1    16     7     1
  H     1.11508982 +1  108.9544623 +1  -74.8114674 +1    16     7     1
  H     1.11894522 +1  113.2433285 +1  156.9833906 +1    17     8     1
  H     1.11262529 +1  112.2312023 +1  -86.1979331 +1    17     8     1
  H     1.11600707 +1  113.3397486 +1   94.4428651 +1    19     8     1
  H     1.11164204 +1  113.9661847 +1 -148.8267284 +1    19     8     1
  H     1.11392010 +1  113.7855670 +1  161.5975100 +1    20     8     1
  H     1.12751483 +1  109.9645992 +1  -83.8924477 +1    20     8     1
  H     1.11359608 +1  109.3709584 +1  150.6983769 +1    21     5     1
  H     1.11044263 +1  105.9475964 +1  -94.0443676 +1    21     5     1
  H     1.10997383 +1  114.6556184 +1  111.3918768 +1    23    10     1
  H     1.11118149 +1  115.0974474 +1 -129.3458822 +1    23    10     1
  H     1.11403379 +1  106.8913455 +1  131.3211211 +1    24     5     1
  H     1.10989916 +1  107.0702454 +1 -112.0861194 +1    24     5     1
  H     1.11682578 +1  113.4858493 +1  171.4218060 +1    25    10     1
  H     1.11925146 +1  111.5188062 +1  -73.0624526 +1    25    10     1
  H     1.12407073 +1  111.0624047 +1   80.5511457 +1    26    10     1
  H     1.11387685 +1  114.4623393 +1 -163.7367227 +1    26    10     1
  H     1.10859296 +1  105.3710557 +1   84.5636742 +1    27     6     1
  H     1.11459480 +1  110.5861098 +1 -160.5544099 +1    27     6     1
  H     1.11779988 +1  115.2921341 +1  100.8976930 +1    29     9     1
  H     1.10399109 +1  115.6393254 +1 -140.1337374 +1    29     9     1
  H     1.11522404 +1  107.6009375 +1  108.6306600 +1    30     6     1
  H     1.11201847 +1  107.2432205 +1 -135.2363870 +1    30     6     1
  H     1.11457258 +1  112.2813638 +1   70.6752366 +1    31     9     1
  H     1.11470822 +1  114.4218247 +1 -172.6281632 +1    31     9     1