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note
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See Supporting Information for details on the synthesis and characterization of 2a and 2b.
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22
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0343429594
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note
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Crystal data for 2b: pale yellow crystal, T = 160 K, monoclinic, C2/c, a = 19.588(2) Å, b = 12.1805(15) Å, c = 19.823(3) Å, β = 98.066 (15)°, Z = 8, R1 = 0.0281, GOF = 1.034.
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0342559717
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note
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17 were used to represent the 10-electron core of the Si and P atoms. For these atoms and for the hydrogen atoms directly attached to Si and Ru, double-ς plus polarization basis sets were used. All calculations were carried out with the Gaussian 98 program (see Supporting Information).
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26
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