Accuracy

Gd_(GIRKUN) r   6871 Gadolinium complex, CCDC: GIRKUN (Geo)

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    #  Species Formula
  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
  6878 Gadolinium complex, CCDC: TUFLUB (Geo)C12H15O15Gd
  6879 Gadolinium complex, CCDC: HEDMIM (Geo)C24H38N3O20Gd
  6880 Gadolinium complex, CCDC: LEJVEB (Geo)C12H16N6O20Gd
  6881 Gadolinium complex, CCDC: XIVFOX (Geo)C27H19N3O7F18Gd


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: GIRKUN
 <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     2.33810002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.34229999 +1   82.9394908 +1    0.0000000 +0     1     2     0
  O     2.34370000 +1   80.6316046 +1   72.2658515 +1     1     2     3
  O     2.44317974 +1   74.6598216 +1  160.6655132 +1     1     2     3
  O     2.47090005 +1  179.9960985 +1  135.4353814 +1     1     2     3
  O     2.51434613 +1   74.7023341 +1  -76.6650652 +1     1     2     3
  O     2.15928548 +1  147.0537820 +1  -26.1464174 +1     7     1     2
  O     2.15538976 +1  149.3492243 +1  -40.4412896 +1     5     1     2
  O     2.15753658 +1  143.9486499 +1 -123.0767093 +1     6     1     2
  N     1.22353917 +1   32.5834242 +1 -177.5247447 +1     9     5     1
  N     1.30951031 +1  173.9273635 +1   -3.0030205 +1     6     1     3
  N     1.21811544 +1   31.8252601 +1  132.7053008 +1     8     7     1
  O     1.21371838 +1  124.8241273 +1 -179.3786306 +1    11     9     5
  O     1.21234564 +1  117.5018775 +1 -162.5355688 +1    12     6     1
  O     1.22795007 +1  123.3853928 +1 -179.2597280 +1    13     8     7
  N     3.47947604 +1  125.5841804 +1   66.6155681 +1     3     1     2
  N     3.39121287 +1  119.5641731 +1    4.1775439 +1     2     1     3
  N     2.93476759 +1  107.4042585 +1  -91.3140995 +1    18     2     1
  N     3.34277444 +1  115.8676370 +1   -2.0225571 +1     4     1     2
  C     1.48053776 +1  121.8911654 +1  -51.5855789 +1    19    18     2
  C     1.46470673 +1  162.9050729 +1  -54.8039849 +1    20     4     1
  C     1.37470195 +1   72.8971710 +1  144.7776015 +1    20     4     1
  C     1.36712694 +1  123.5335921 +1   14.0381169 +1    23    20     4
  C     1.25353061 +1  174.6496049 +1  147.0610816 +1     4     1     2
  C     1.50736419 +1  122.4502915 +1   60.8001382 +1    25     4     1
  C     1.49960831 +1  117.2006673 +1 -163.9454460 +1    23    20     4
  C     1.48278354 +1  124.7263249 +1  113.7554828 +1    19    18     2
  C     1.46455750 +1  165.9938220 +1  -50.9026172 +1    17     3     1
  C     1.38418373 +1   70.1925852 +1  133.4070807 +1    17     3     1
  C     1.35581165 +1  122.1602307 +1   15.6852062 +1    30    17     3
  C     1.24870600 +1  175.7067480 +1 -108.5331696 +1     3     1     2
  C     1.48912856 +1  124.3624174 +1   43.6672262 +1    32     3     1
  C     1.49819670 +1  117.6587348 +1 -161.0829870 +1    30    17     3
  C     1.48114685 +1   58.0833045 +1 -150.1356548 +1    19    18     2
  C     1.46541212 +1  163.0747651 +1  -72.4464384 +1    18     2     1
  C     1.38518943 +1   71.4872922 +1  141.8858346 +1    18     2     1
  C     1.36026136 +1  124.0139185 +1   14.7219725 +1    37    18     2
  C     1.25022148 +1  171.5104148 +1  157.2013184 +1     2     1     3
  C     1.50152547 +1  123.3484477 +1   57.5321423 +1    39     2     1
  C     1.49968380 +1  116.6627617 +1 -162.3466557 +1    37    18     2
  H     1.00295556 +1   50.3322228 +1  -62.1452848 +1    20     4     1
  H     1.00812295 +1   55.3618671 +1  -76.2447000 +1    17     3     1
  H     1.00370515 +1   51.3803892 +1  -64.8366301 +1    18     2     1
  H     1.11244277 +1  109.9425837 +1  138.8146080 +1    21    19    18
  H     1.11065923 +1  112.9088082 +1 -102.7710458 +1    21    19    18
  H     1.11824348 +1  107.3489676 +1   48.7855865 +1    22    20     4
  H     1.11166200 +1  111.2357989 +1  164.4487399 +1    22    20     4
  H     1.10083607 +1  116.1358174 +1 -179.4780722 +1    24    23    20
  H     1.10019484 +1  111.3223728 +1  159.3449042 +1    26    25     4
  H     1.10573137 +1  112.0899658 +1  -81.9358494 +1    26    25     4
  H     1.10148314 +1  114.6215860 +1   39.3742538 +1    26    25     4
  H     1.09670897 +1  112.8782723 +1  -62.4135614 +1    27    23    20
  H     1.10549430 +1  110.5327033 +1   59.2387794 +1    27    23    20
  H     1.10217600 +1  112.1472834 +1  176.7846937 +1    27    23    20
  H     1.11252892 +1  109.6884181 +1   35.2080130 +1    28    19    18
  H     1.11026411 +1  113.0075956 +1  153.8298740 +1    28    19    18
  H     1.11672839 +1  107.5584125 +1   62.1390196 +1    29    17     3
  H     1.10966041 +1  112.5335738 +1  179.3983164 +1    29    17     3
  H     1.09781347 +1  119.2053336 +1 -176.6120367 +1    31    30    17
  H     1.09699048 +1  112.6862397 +1  173.8718108 +1    33    32     3
  H     1.11684542 +1  112.7147449 +1  -65.4252336 +1    33    32     3
  H     1.10816197 +1  114.6255437 +1   50.4858953 +1    33    32     3
  H     1.10038425 +1  111.9150806 +1   48.3029859 +1    34    30    17
  H     1.10329344 +1  111.7364417 +1  167.1826950 +1    34    30    17
  H     1.09935048 +1  111.9376516 +1  -73.4625208 +1    34    30    17
  H     1.11150010 +1  110.3340234 +1   89.9261907 +1    35    19    18
  H     1.10984784 +1  113.1154090 +1 -151.3099143 +1    35    19    18
  H     1.11639995 +1  107.4654361 +1   67.8202468 +1    36    18     2
  H     1.11106168 +1  111.5631011 +1 -176.1279400 +1    36    18     2
  H     1.10420811 +1  116.1963060 +1 -177.9570135 +1    38    37    18
  H     1.09752164 +1  111.8111538 +1  150.5299899 +1    40    39     2
  H     1.10860740 +1  111.4840851 +1  -90.4376010 +1    40    39     2
  H     1.10744725 +1  115.4561264 +1   28.1939041 +1    40    39     2
  H     1.10523185 +1  110.7677839 +1   51.7602206 +1    41    37    18
  H     1.10354376 +1  111.8921894 +1  168.7130034 +1    41    37    18
  H     1.09600116 +1  112.8371841 +1  -70.3966632 +1    41    37    18