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note
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3, Z = 8. Refinement of 6507 unique reflections and 441 parameters gave R1 = 0.0426 and wR2 = 0.1186. More crystallographic data are provided as Supporting Information.
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32
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note
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See the Supporting Information.
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Cambridge University Press: Cambridge, U.K. Also see the Supporting Information
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To fit the experimental data, theoretical susceptibilities were calculated according to a generalized suscesptibility equation (ref 5b and Gerloch, M. Magnetism and Ligand Field Analysis; Cambridge University Press: Cambridge, U.K., 1983). Also see the Supporting Information.
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16244400873
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A similar value for the antisymmetric exchange constant was obtained by a different method in ref 10.
-
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38
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16244418469
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note
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DFT geometry optimization (B3LYP/6-31G*) converges to the distorted tetrahedral geometry with a twist angle of 43°.
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2 does not lead to conversion to the trimer 1 within 24 h.
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