Compound 4c

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InChIKey RRHKRZAEETVBBW-UHFFFAOYSA-N

Compound data: CIF

Synthetic procedure: See article for the definitive version of this procedure and for full experimental details.

A typical experimental procedure is given for compound 4a. ¹H NMR (400.1 MHz, CD₂Cl₂, 30 °C): δ 7.74-6.91 (bm, 20H, ArH), 3.58-1.26 (bm, 30H, cage-BH, cage-CH, Alkyl-CH); ¹¹B (128.4 MHz, CD₂Cl₂, 30 ^oC, BF₃-Et₂O): δ 1.2 (s, 2B, B-S), - 2.4 (s, 2B, BF₄), - 4.3 (d, ¹J_B-H= 116 Hz, 2BH), - 7.9 to - 24.7 (bm, 16BH); ³¹P{¹H} NMR (100.6 MHz, CD₂Cl₂, 30 °C): δ 48.5 (s, ¹J_P-Pt=3119). HRMS (ESI): m/z calcd for C₃₂ B₂₀H₅₀P₂PtS₂ [M-2BF₄]²⁺: 485.7242, found: 485.7231. Calculated for C₃₂B₂₂H₅₀F₈P₂PtS₂: C, 33.55; H, 4.40; found: C, 32.74; H, 4.29. Single crystals suitable for X-Ray studies were grown by slow diffusion of diethyl ether, layered on top of a dichloromethane solution of 4c in a NMR tube.