Accuracy

Gd_(ZAXQAQ) r   6867 Gadolinium complex, CCDC: ZAXQAQ (Geo)

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    #  Species Formula
  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
  6874 Gadolinium complex, CCDC: NIGHEQ (Geo)C46H34N14O12Gd
  6875 Gadolinium complex, CCDC: PUZHUN (Geo)C28H34N11O13Gd
  6876 Gadolinium complex, CCDC: PEBDOP (Geo)C8H20O15Gd
  6877 Gadolinium complex, CCDC: FUHQUU (Geo)C12H12O15Gd


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: ZAXQAQ
 <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     2.33750003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34660000 +1   81.5835229 +1    0.0000000 +0     1     2     0
  O     2.38659996 +1  103.4554456 +1 -137.6936423 +1     1     2     3
  O     2.38950001 +1   79.1224201 +1  -80.5870089 +1     1     2     3
  O     2.40850007 +1   61.8990043 +1  115.7558362 +1     1     2     3
  O     2.43039998 +1  141.5329526 +1   16.0109393 +1     1     2     3
  O     5.00580534 +1  133.9273115 +1  138.7527122 +1     1     2     3
  O     5.13468781 +1   97.3433768 +1   32.3026874 +1     1     2     3
  N     2.32790273 +1  151.8614238 +1  -29.8321391 +1     7     1     2
  N     2.32940875 +1  153.2509987 +1   56.7456820 +1     4     1     2
  N     2.32841762 +1  152.1185874 +1   -9.6305727 +1     6     1     2
  N     2.94449218 +1  148.3049243 +1  -30.7224945 +1     3     1     2
  N     2.92393526 +1  150.4381950 +1   54.2545837 +1     5     1     2
  N     2.94588062 +1  149.8347588 +1   52.4028414 +1     2     1     3
  N     3.04569288 +1  103.4252649 +1  -13.1517897 +1    13     3     1
  O     2.25614617 +1  111.8936221 +1 -159.9305456 +1    15     2     1
  O     2.25384961 +1  111.3247722 +1 -172.7766422 +1    13     3     1
  O     2.25686473 +1  112.2187515 +1 -158.1862330 +1    14     5     1
  C     1.26825963 +1  131.0157387 +1  176.1789216 +1     3     1     2
  C     1.27584361 +1  124.2493462 +1  -23.4402337 +1     7     1     2
  C     1.46462389 +1   97.5024366 +1 -171.1329159 +1    10     7     1
  C     1.41037153 +1  145.5835682 +1    5.2576579 +1    10     7     1
  C     1.36414943 +1  121.3055422 +1    4.0500917 +1    23    10     7
  C     1.42452258 +1  122.5950008 +1   -0.6552015 +1    24    23    10
  C     1.22619382 +1   31.6734091 +1   10.9389526 +1    18    13     3
  C     1.46170240 +1  155.0953920 +1   17.2042589 +1    13     3     1
  C     1.49039942 +1   53.9350112 +1 -157.5455135 +1    16    13     3
  C     1.26429574 +1  128.9941066 +1 -102.3146789 +1     5     1     2
  C     1.27900864 +1  125.6053544 +1   62.7190617 +1     4     1     2
  C     1.46528184 +1   97.6697813 +1 -170.4356288 +1    11     4     1
  C     1.40995022 +1  145.6760553 +1    6.4693386 +1    11     4     1
  C     1.36559269 +1  121.2716269 +1    1.6767843 +1    32    11     4
  C     1.38066173 +1  132.4118280 +1  168.4482720 +1    29     5     1
  C     1.22406202 +1   31.7742133 +1   -1.5122143 +1    19    14     5
  C     1.46210215 +1  153.4243973 +1   -0.8228226 +1    14     5     1
  C     1.48874333 +1  140.3038103 +1  -80.0697725 +1    16    13     3
  C     1.26907135 +1  130.5360123 +1 -107.5314597 +1     2     1     3
  C     1.27683840 +1  124.3323180 +1   -5.3285865 +1     6     1     2
  C     1.46509625 +1   97.6202910 +1 -173.7825338 +1    12     6     1
  C     1.40908204 +1  145.6436765 +1    5.2095088 +1    12     6     1
  C     1.36523227 +1  121.2106675 +1   -0.2622948 +1    41    12     6
  C     1.37903770 +1  132.5350774 +1  169.8789195 +1    38     2     1
  C     1.22422725 +1   31.7314489 +1   -2.7775508 +1    17    15     2
  C     1.46209054 +1  153.7054101 +1   -3.1491394 +1    15     2     1
  C     1.49027276 +1  109.3938638 +1  102.0867740 +1    16    13     3
  H     1.10406450 +1  112.3810563 +1   -9.1247502 +1    31    11     4
  H     1.10626168 +1  110.3337502 +1  110.9089748 +1    31    11     4
  H     1.10528187 +1  110.4344302 +1 -128.8086395 +1    31    11     4
  H     1.10466486 +1  112.3648078 +1    2.0608668 +1    40    12     6
  H     1.10584269 +1  110.3860817 +1  121.8854219 +1    40    12     6
  H     1.10548068 +1  110.3796102 +1 -117.7646487 +1    40    12     6
  H     1.10480085 +1  112.1329643 +1   -9.7038225 +1    22    10     7
  H     1.10563008 +1  110.3909114 +1  110.3765155 +1    22    10     7
  H     1.10508603 +1  110.4320614 +1 -129.0767554 +1    22    10     7
  H     1.08691719 +1  116.0928740 +1 -177.7744483 +1    32    11     4
  H     1.10067011 +1  120.1255934 +1 -179.0864216 +1    33    32    11
  H     1.08727958 +1  116.1569799 +1 -179.7667909 +1    41    12     6
  H     1.10071811 +1  120.1034555 +1 -178.8062422 +1    42    41    12
  H     1.08695582 +1  115.9320350 +1 -176.0652752 +1    23    10     7
  H     1.09911489 +1  120.1602756 +1  179.8464334 +1    24    23    10
  H     1.00618073 +1   38.5578238 +1    8.4838817 +1    14     5     1
  H     1.00558273 +1   38.8596566 +1    8.2430718 +1    15     2     1
  H     1.00548929 +1   41.3388370 +1   -5.0763515 +1    13     3     1
  H     1.11769225 +1  110.2267042 +1  172.0371040 +1    27    13     3
  H     1.11434138 +1  108.4884545 +1   55.3932607 +1    27    13     3
  H     1.11078269 +1  112.4641474 +1 -154.1498319 +1    28    16    13
  H     1.11465738 +1  108.0922857 +1   88.0060843 +1    28    16    13
  H     1.11153220 +1  112.1436403 +1  118.7576524 +1    46    16    13
  H     1.11570589 +1  107.5055115 +1    1.3732924 +1    46    16    13
  H     1.11876385 +1  109.8215129 +1 -170.9042702 +1    45    15     2
  H     1.11447565 +1  107.9319770 +1   73.0281946 +1    45    15     2
  H     1.11112516 +1  112.3449934 +1 -112.1767142 +1    37    16    13
  H     1.11509364 +1  108.1707313 +1  130.1027319 +1    37    16    13
  H     1.11841351 +1  109.8051988 +1 -173.3679739 +1    36    14     5
  H     1.11424947 +1  107.8593223 +1   70.4795374 +1    36    14     5
  H     0.95625172 +1  124.8299309 +1  107.4318496 +1     8     1     2
  H     0.95246824 +1  151.2774263 +1  111.3657160 +1     9     1     2
  H     0.96334742 +1  100.0024035 +1  -42.4735310 +1     9     1     2
  H     0.95634931 +1  129.7119386 +1  -79.0741302 +1     8     1     2