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85163237412
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According to a structure search in the Cambridge Structural Database, as described anions typically show bridging Sb-Cl bond lengths ranging from 3.00-3.30 Å.
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According to a structure search in the Cambridge Structural Database, as described anions typically show bridging Sb-Cl bond lengths ranging from 3.00-3.30 Å.
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38
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23844433351
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a) C. L. Raston, B. W. Skelton, V.-A. Tolhurst, A. H. White, J.Chem. Soc., Dalton Trans. 2000, 1279
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85163241224
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DFT calculations were carried out with the Gaussian03 suite of programs (M. J. Frisch, et al. Gaussian 03, Revision D.02; Gaussian Inc, Pittsburgh, PA, 2003, complete reference is given in the supplement, The molecular structures and energies of compounds 1a, 1b, 1c, 5a, and 5b were obtained by performing a complete energy optimization of all geometric parameters at the b3lyp/sdd level (input keywords, b3lyp/ sdd opt pop, nbo′, using the atomic coordinate of the crystal structure determination of 1and 5(without solvent molecule) as starting point. Population analysis was carried out with the NBO module as implemented in Gaussian03. The final molecular structures and list of the final atomic coordinates and energies, selected bond lengths, and NBO atomic populations are given in the electronic supplement
-
DFT calculations were carried out with the Gaussian03 suite of programs (M. J. Frisch, et al. Gaussian 03, Revision D.02; Gaussian Inc., Pittsburgh, PA, 2003, complete reference is given in the supplement). The molecular structures and energies of compounds 1a, 1b, 1c, 5a, and 5b were obtained by performing a complete energy optimization of all geometric parameters at the b3lyp/sdd level (input keywords "# b3lyp/ sdd opt pop = nbo′), using the atomic coordinate of the crystal structure determination of 1and 5(without solvent molecule) as starting point. Population analysis was carried out with the NBO module as implemented in Gaussian03. The final molecular structures and list of the final atomic coordinates and energies, selected bond lengths, and NBO atomic populations are given in the electronic supplement.
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41
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85163238873
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