Accuracy

Gd_(LEJVEB) r   6880 Gadolinium complex, CCDC: LEJVEB (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  6882 Gadolinium complex, CCDC: FONMEA (Geo)C41H37N4O10F18Gd
  6883 Gadolinium complex, CCDC: ZIZNUR (Geo)C41H37N4O10F18Gd
  6884 Gadolinium complex, CCDC: WIRTUM (Geo)C39H105N4O3Si12Gd
  6885 Gadolinium complex, CCDC: JARBUZ (Geo)C14H25N3O14PSGd
  6886 Gadolinium complex, CCDC: GAKYAS (Geo)C14H26O12S2Gd
  6887 Gadolinium complex, CCDC: DIYNEE (Geo)C20H26O12S2Gd
  6888 Gadolinium complex, CCDC: NIVQEO (Geo)C41H35N4O10F18Cl2G
  6889 Gadolinium complex, CCDC: ADUPEU (Geo)C27H24N4O3Cl3Gd
  6890 Gadolinium complex, CCDC: PALHAL (Geo)C54H66N8O6Gd2


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: LEJVEB
 <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     2.30940671 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36330008 +1  145.3271591 +1    0.0000000 +0     1     2     0
  O     2.41087546 +1   76.5828934 +1   99.3103738 +1     1     2     3
  O     2.42463650 +1   82.3148886 +1  -49.8754769 +1     1     2     3
  O     2.42731246 +1   74.7119709 +1  178.0729148 +1     1     2     3
  O     2.43414656 +1  123.5569513 +1 -118.3912525 +1     1     2     3
  O     2.86577953 +1  136.3805031 +1  136.0048686 +1     1     2     3
  O     2.87063634 +1   74.9952165 +1   25.1974328 +1     1     2     3
  N     5.56875177 +1  150.1537689 +1  164.2775893 +1     3     1     2
  H     0.99914527 +1  135.4512875 +1  171.2446104 +1     6     1     2
  O     6.26317158 +1  166.1255194 +1   94.0600225 +1     2     1     3
  O     1.21673836 +1  118.4661668 +1  -75.4397941 +1    10     3     1
  H     1.03231489 +1  125.0576723 +1  -78.5850661 +1     5     1     2
  C     1.28266351 +1  154.6054440 +1  158.5239004 +1     3     1     2
  C     2.34320609 +1  172.1437545 +1  -18.9129515 +1     2     1     3
  O     2.45668944 +1  106.0388521 +1   21.7010106 +1    14     5     1
  H     0.96015606 +1  111.7093131 +1  120.9469067 +1     4     1     2
  H     1.02744717 +1  124.8969099 +1  161.4190376 +1     5     1     2
  H     1.00450305 +1  121.7618422 +1 -175.6188600 +1     7     1     2
  H     2.13367483 +1  179.9970505 +1  142.9654450 +1    16     2     1
  C     1.30003948 +1  151.0019729 +1   98.9526592 +1     2     1     3
  O     2.82031459 +1   98.1868507 +1   77.3874570 +1     3     1     2
  N     1.22882653 +1  114.3186178 +1  114.0298750 +1    17    14     5
  N     1.21914783 +1   81.9255976 +1  118.5797213 +1    23     3     1
  O     1.21923417 +1  117.1713545 +1  102.5303336 +1    10     3     1
  H     1.00017128 +1  127.2363692 +1  163.0069067 +1     8     1     2
  H     1.01792140 +1  122.8807224 +1  -28.6169127 +1     6     1     2
  C     2.35315031 +1  151.7246115 +1  -72.6702655 +1    24    17    14
  H     0.99747351 +1  123.6831200 +1   50.2890095 +1     9     1     2
  H     1.01805882 +1  110.3515638 +1  -52.0833617 +1     7     1     2
  C     1.37905033 +1  154.5314344 +1  -16.4720816 +1    29    24    17
  H     2.37210597 +1   88.7999166 +1    6.2686214 +1    26    10     3
  C     1.08152162 +1   34.1578903 +1  -16.1780305 +1    21    16     2
  O     2.24998036 +1  140.9798013 +1   38.3011969 +1    19     5     1
  O     2.32476775 +1   70.7033034 +1  -37.2225938 +1    16     2     1
  N     1.21717563 +1  139.2233563 +1  -20.1294744 +1    35    19     5
  H     1.10763314 +1   87.0242990 +1  167.3087527 +1    29    24    17
  O     1.21015596 +1  121.3624385 +1  102.3358538 +1    24    17    14
  H     0.98059202 +1  113.6226630 +1   16.5727247 +1     8     1     2
  C     1.43565379 +1  120.9078643 +1  109.7696260 +1    15     3     1
  H     0.99070558 +1  122.6818528 +1  -94.5604543 +1     4     1     2
  C     1.09744552 +1   95.5538635 +1   -3.3650233 +1    33    26    10
  C     1.41568890 +1   34.6083866 +1   -9.5283607 +1    29    24    17
  C     1.39600892 +1  118.6073396 +1    1.9985081 +1    43    33    26
  N     1.21444704 +1   32.7449138 +1 -135.0749740 +1    36    16     2
  C     1.39255633 +1  121.8194419 +1 -179.0391846 +1    45    43    33
  H     0.98799977 +1  126.9141203 +1 -165.4522288 +1     9     1     2
  C     1.39370805 +1  118.5716158 +1   -0.2424130 +1    47    45    43
  N     1.21312177 +1   53.7603573 +1   12.9113274 +1    12     2     1
  O     1.21801587 +1  124.1211022 +1 -149.1165645 +1    25    23     3
  O     1.22100275 +1  123.0424270 +1  115.9366446 +1    37    35    19
  O     1.21790030 +1  124.4967148 +1  176.0009286 +1    50    12     2
  O     1.21902231 +1  123.6761362 +1 -179.4506510 +1    46    36    16
  H     1.10556532 +1  120.3793811 +1 -179.9750738 +1    47    45    43