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The usefulness of the DFT method is proven by calculation of the ligands and comparison with the X-ray structure
-
The usefulness of the DFT method is proven by calculation of the ligands and comparison with the X-ray structure.
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23
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34547972859
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The calculation of the charge density of the pyridine nitrogen with the DFT method gave markedly higher values for 3 and 7 compared with 1
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The calculation of the charge density of the pyridine nitrogen with the DFT method gave markedly higher values for 3 and 7 compared with 1.
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34547981346
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note
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2) and included in the final structure factor calculations, but were not refined. Crystallographic data (excluding structure factors) for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-100756. Copies of the data can be obtained free of charge on application to CCDC. 12 Union Road, Cambridge CB21EZ, UK (fax: (+44)1223-336033; E-mail: deposit@ccdc.cam.ac.uk).
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27
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85088681689
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4 anion connects two silver atoms. The bond lengths of Ag2-F24-Ag3 are 260 and 259 pm, respectively
-
4 anion connects two silver atoms. The bond lengths of Ag2-F24-Ag3 are 260 and 259 pm, respectively.
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28
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34547975461
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The result of a search at the Cambridge Structural Data Centre
-
The result of a search at the Cambridge Structural Data Centre.
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29
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0006383225
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See also Ag-Ag distances in other silver complexes: K. Hirotsu, I. Miyahara, T. Higuchi, M. Toda, H. Tsukube, K. Matsumoto, Chem. Lett. 1992, 699-702; J. dc Mendoza, E. Mesa, X-C. Rodriguez-Ubis, P. Vázquez, F. Vögtle, P.-M. Windscheif, K. Rissanen, J.-M. Lehn, D. Lilienbaum, R. Ziessel, Angew, Chem. 1991, 103, 1365-1367; Angew. Chem. Int. Ed. Engl. 1991, 30, 1331-1333.
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30
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2542446544
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See also Ag-Ag distances in other silver complexes: K. Hirotsu, I. Miyahara, T. Higuchi, M. Toda, H. Tsukube, K. Matsumoto, Chem. Lett. 1992, 699-702; J. dc Mendoza, E. Mesa, X-C. Rodriguez-Ubis, P. Vázquez, F. Vögtle, P.-M. Windscheif, K. Rissanen, J.-M. Lehn, D. Lilienbaum, R. Ziessel, Angew, Chem. 1991, 103, 1365-1367; Angew. Chem. Int. Ed. Engl. 1991, 30, 1331-1333.
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