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49
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Obtained by performing NMR computations for structures with elongated or compressed Fe-C distances (in steps of 0.02 Å around the BP86/AE1+ optimized value) and a linear fit of the resulting σ values.
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51
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0011653074
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note
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-1, is obtained when the larger basis II is used for the ligands.
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84984076306
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For instance, the following mean values are found with the counterions indicated: (a) 1.902 Å (hexaquomagnesium, hexamethylenetetramine-1-ium): H.-J. Meyer and J. Pickardt, Z. Anorg. Allg. Chem., 1988, 560, 185; (b) 1.925 Å [bis(diethylenetriamine)-zinc(II), tetrahydrate]: I. A. Razak, S. S. S. Raj, H.-K. Fun, Y.-X. Tong, Z.-L. Lu and B.-S. Kang, Acta Crystallogr., Sect. C, 2000, 56, 291; (c) 1.927 Å [lithium(I), hexamethylenetetramine pentahydrate]: H.-J. Meyer and J. Pickardt, Acta Crystallogr., Sect. C, 1988, 44, 1715.
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0346483372
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For instance, the following mean values are found with the counterions indicated: (a) 1.902 Å (hexaquomagnesium, hexamethylenetetramine-1-ium): H.-J. Meyer and J. Pickardt, Z. Anorg. Allg. Chem., 1988, 560, 185; (b) 1.925 Å [bis(diethylenetriamine)-zinc(II), tetrahydrate]: I. A. Razak, S. S. S. Raj, H.-K. Fun, Y.-X. Tong, Z.-L. Lu and B.-S. Kang, Acta Crystallogr., Sect. C, 2000, 56, 291; (c) 1.927 Å [lithium(I), hexamethylenetetramine pentahydrate]: H.-J. Meyer and J. Pickardt, Acta Crystallogr., Sect. C, 1988, 44, 1715.
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0011593986
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For instance, the following mean values are found with the counterions indicated: (a) 1.902 Å (hexaquomagnesium, hexamethylenetetramine-1-ium): H.-J. Meyer and J. Pickardt, Z. Anorg. Allg. Chem., 1988, 560, 185; (b) 1.925 Å [bis(diethylenetriamine)-zinc(II), tetrahydrate]: I. A. Razak, S. S. S. Raj, H.-K. Fun, Y.-X. Tong, Z.-L. Lu and B.-S. Kang, Acta Crystallogr., Sect. C, 2000, 56, 291; (c) 1.927 Å [lithium(I), hexamethylenetetramine pentahydrate]: H.-J. Meyer and J. Pickardt, Acta Crystallogr., Sect. C, 1988, 44, 1715.
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Ricci, M.A.3
-
70
-
-
0011593987
-
-
note
-
FeO(r) pair correlation function near r ≈ 11.5/2 Å, however, affords no evidence for such an artifact
-
-
-
-
71
-
-
0000685315
-
-
See also: M. Kaupp, V. G. Malkin, O. L. Malkina and D. R. Salahub, Chem. Phys. Lett., 1995, 235, 382.
-
(1995)
Chem. Phys. Lett.
, vol.235
, pp. 382
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-
Kaupp, M.1
Malkin, V.G.2
Malkina, O.L.3
Salahub, D.R.4
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