Accuracy

mg(edta)r   1778 Magnesium EDTA (=) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1768 Mg(OH)2.4(H2O)H10O6Mg
  1769 Mg(OH)2.4(H2O) (Geo)H10O6Mg
  1770 Mg(II)(H2O)5.OHH11O6Mg
  1771 Mg(II)(H2O)5.OH (Geo)H11O6Mg
  1772 Mg(++)(H2O)6H12O6Mg
  1773 Mg(++)(H2O)6 (Geo)H12O6Mg
  1774 Mg(II)O6 (DACAMG) (Geo)C10H18O6Mg
  1775 Mg(II)O6 (DACAMG)C10H18O6Mg
  1776 Mg(II)O6 (FELGUY) (Geo)C4H14O8Mg
  1777 Mg(II)O6 (FELGUY)C4H14O8Mg
  1778 Magnesium EDTA (=) (Geo) C10H12N2O8Mg
  1779 Magnesium EDTA (=)C10H12N2O8Mg
  1780 Mg(II)O6(-) (GAPSEV) (Geo)C12H9O9Mg
  1781 Mg(II)O6(-) (GAPSEV)C12H9O9Mg
  1782 Mg(II)O6 (DAVGAI) (Geo)C10H10N4O10Mg
  1783 Mg(II)O6 (DAVGAI)C10H10N4O10Mg
  1784 Mg(II)O6 (BESXON) (Geo)C8H14O12Mg
  1785 Mg(II)O6 (BESXON)C8H14O12Mg
  1786 Magnesium fluorideFMg
  1787 Magnesium fluoride (Geo)FMg
  1788 Magnesium hydride fluorideHFMg


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=-2 PM7
Magnesium EDTA (=)
 <Mg-N> <><> <Mg-O><><> GR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.31395200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.63688461 +1   72.0438571 +1    0.0000000 +0     1     2     0
  O     2.08063200 +1   78.8273993 +1  168.5757134 +1     1     2     3
  O     2.08908482 +1   84.6543967 +1  -97.0306753 +1     1     2     4
  O     2.10316614 +1   76.5610993 +1 -159.6538113 +1     1     2     5
  C     1.46262995 +1   93.3858619 +1 -134.1256824 +1     3     1     2
  C     1.46299421 +1  106.3744150 +1  118.8116654 +1     3     1     7
  C     1.48437295 +1  114.6466644 +1  -15.8362251 +1     2     1     3
  C     1.56877543 +1  109.0368687 +1  -45.3247515 +1     7     3     1
  O     1.23233774 +1  115.4528928 +1 -135.8010475 +1    10     7     3
  C     1.25153893 +1  126.0419424 +1  -71.5203289 +1     5     1     2
  O     1.23601364 +1  125.4215814 +1  160.4109639 +1    12     5     1
  H     1.10827181 +1  113.3757636 +1  163.0549207 +1     8     3     1
  H     1.10630847 +1  112.5178898 +1  167.3419774 +1     9     2     1
  C     1.25856719 +1  115.0615415 +1  -15.9279766 +1     4     1     2
  O     1.23116535 +1  125.9952384 +1  174.4298104 +1    16     4     1
  C     1.25202276 +1  118.6913926 +1    0.5460897 +1     6     1     2
  O     1.23348058 +1  126.7935223 +1  159.3641323 +1    18     6     1
  H     1.11544042 +1  109.3263678 +1  119.7617217 +1     8     3    14
  H     1.11518142 +1  108.5963880 +1  118.6078381 +1     9     2    15
  C     1.47692702 +1  106.5338426 +1  124.8514763 +1     2     1     9
  C     1.45937530 +1  104.8890489 +1  123.4959323 +1     3     1     8
  C     1.48070439 +1   98.5845420 +1  116.3690336 +1     2     1    22
  O     1.25988329 +1  119.6987989 +1 -177.9173521 +1    10     7    11
  H     1.10975296 +1  110.8471239 +1   81.0166151 +1    22     2     1
  H     1.10034779 +1  114.2261141 +1  121.6489444 +1    22     2    26
  H     1.10309607 +1  113.9580567 +1 -151.1117873 +1    23     3     1
  H     1.10962293 +1  111.0723116 +1 -121.4841197 +1    23     3    28
  H     1.11875087 +1  108.8546403 +1   69.6640478 +1    24     2     1
  H     1.09953793 +1  114.1944053 +1  121.7301379 +1    24     2    30
  H     1.11810582 +1  109.4889360 +1  115.2963824 +1     7     3    10
  H     1.10241423 +1  114.2197984 +1  121.9988954 +1     7     3    32