Accuracy

Gd_(VEDSEC) r   6844 Gadolinium complex, CCDC: VEDSEC (Geo)

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    #  Species Formula
  6834 Gadolinium complex, CCDC: YUWZOF (Geo)C33H27N6Gd
  6835 Gadolinium complex, CCDC: WEWNOB (Geo)C51H51N6Gd
  6836 Gadolinium complex, CCDC: ZAZQEW (Geo)C76H44N12Gd
  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


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: VEDSEC
 <Gd-O2> <Gd-O3> <> <> <> <> <> <> <> <Gd-N6> <> <> <Gd-N7> <> <> <Gd-N8> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.44279998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.44640000 +1  179.2439794 +1    0.0000000 +0     1     2     0
  O     2.20398532 +1  132.0279861 +1 -135.2444687 +1     3     1     2
  O     2.20896941 +1  131.1408381 +1 -126.8580542 +1     2     1     3
  N     2.56470002 +1   66.1782773 +1  127.8639540 +1     1     2     3
  N     2.60209996 +1   82.0655496 +1  -39.7780947 +1     1     2     3
  N     2.62619999 +1   62.7962796 +1 -107.2041328 +1     1     2     3
  N     3.42476329 +1   58.3423218 +1   61.6319659 +1     1     2     3
  N     3.35355495 +1   65.3444562 +1 -170.0537173 +1     1     2     3
  N     2.77891193 +1   71.7086466 +1  -90.4130723 +1     9     1     2
  C     1.37854004 +1  130.0853767 +1  -80.6432278 +1     8     1     2
  C     1.28218492 +1  107.4854548 +1   56.0362006 +1    10     1     2
  C     1.49082255 +1  128.2402168 +1 -143.8528245 +1    13    10     1
  C     1.45153884 +1  111.9863994 +1  -86.6011170 +1    10     1     2
  C     1.53522993 +1  119.9718514 +1  113.6089826 +1     6     1     2
  C     1.33630971 +1  128.6432598 +1  -54.1388551 +1     6     1     2
  C     1.50709918 +1  125.2473606 +1  177.3632094 +1    17     6     1
  C     1.35101028 +1  101.4418945 +1   60.9222043 +1     9     1     2
  C     1.40963538 +1  120.9781789 +1 -151.0743493 +1    19     9     1
  C     1.39082137 +1  119.3314063 +1   -2.8745218 +1    20    19     9
  C     1.39250819 +1  119.5230811 +1    4.4871421 +1    21    20    19
  C     1.35698806 +1  129.0489345 +1  -82.6627458 +1     9     1     2
  C     1.28684771 +1   62.3389948 +1 -168.1134062 +1    11     9     1
  C     1.49044824 +1  127.8504996 +1  169.6759163 +1    24    11     9
  C     1.44755291 +1  171.6112945 +1    2.3019459 +1    11     9     1
  C     1.52351267 +1  128.9822908 +1  111.2233722 +1     7     1     2
  C     1.31481773 +1  116.9427875 +1  -58.9987594 +1     7     1     2
  C     1.49800793 +1  126.8783081 +1  162.2212505 +1    28     7     1
  C     1.37987248 +1  115.0347652 +1  101.2827948 +1     8     1     2
  C     1.39694875 +1  123.2429877 +1  163.2281935 +1    30     8     1
  C     1.39729086 +1  119.2151320 +1    5.3476709 +1    31    30     8
  C     1.38596274 +1  118.3717541 +1    5.3789584 +1    32    31    30
  C     1.21510799 +1   30.8087538 +1 -179.7451245 +1     4     3     1
  C     1.50874488 +1  120.5978001 +1 -179.3467239 +1    34     4     3
  C     1.23582825 +1   29.6799616 +1 -176.9978571 +1     5     2     1
  C     1.51264701 +1  118.4958089 +1 -178.8331167 +1    36     5     2
  H     1.10756962 +1  111.4868154 +1   38.7055518 +1    14    13    10
  H     1.09983548 +1  114.1101903 +1  157.6883633 +1    14    13    10
  H     1.10357624 +1  111.3625701 +1  -80.2237938 +1    14    13    10
  H     1.11885259 +1  114.0079086 +1  104.9328435 +1    15    10     1
  H     1.11869069 +1  110.9784363 +1 -135.8835878 +1    15    10     1
  H     1.11282151 +1  111.2028623 +1   52.5060301 +1    16     6     1
  H     1.12268208 +1  113.9214227 +1  165.6912815 +1    16     6     1
  H     1.10219633 +1  113.1286006 +1  145.9178462 +1    18    17     6
  H     1.11166338 +1  109.4336727 +1  -94.3856381 +1    18    17     6
  H     1.10209378 +1  115.5470888 +1   26.1285035 +1    18    17     6
  H     1.09241518 +1  121.4624594 +1  173.2958616 +1    20    19     9
  H     1.09461703 +1  120.1298813 +1 -177.6093870 +1    21    20    19
  H     1.08921324 +1  120.5104389 +1  177.2752567 +1    22    21    20
  H     1.10228489 +1  111.9015401 +1  -38.0812502 +1    25    24    11
  H     1.10250702 +1  111.8250921 +1   81.8792278 +1    25    24    11
  H     1.10252809 +1  112.6142315 +1 -157.3457801 +1    25    24    11
  H     1.11918789 +1  109.0594636 +1  113.3944825 +1    26    11     9
  H     1.11681879 +1  114.4523439 +1 -128.8085278 +1    26    11     9
  H     1.11765540 +1  109.0718987 +1   54.1100441 +1    27     7     1
  H     1.12031304 +1  112.0762432 +1  166.4247234 +1    27     7     1
  H     1.10538852 +1  112.1459721 +1   89.9870166 +1    29    28     7
  H     1.10512759 +1  113.1419717 +1 -149.0233668 +1    29    28     7
  H     1.10481879 +1  113.6173010 +1  -31.2088524 +1    29    28     7
  H     1.09201648 +1  121.6372812 +1 -174.0063165 +1    31    30     8
  H     1.09540715 +1  120.5399831 +1 -176.4685830 +1    32    31    30
  H     1.09390622 +1  120.5517739 +1  175.1461170 +1    33    32    31
  H     1.10210894 +1  109.5424925 +1  -42.3754233 +1    35    34     4
  H     1.10008809 +1  109.8797130 +1   73.9989519 +1    35    34     4
  H     1.09166889 +1  115.2376026 +1 -163.8986681 +1    35    34     4
  H     1.09776370 +1  110.8740564 +1  110.9212149 +1    37    36     5
  H     1.09285401 +1  112.9810016 +1 -128.0780984 +1    37    36     5
  H     1.10166188 +1  109.8163321 +1   -7.5480577 +1    37    36     5