Compound 4b

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InChIKey HFIKOWVYDKJPAX-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 7.96-6.81 (m, 20H, ArH), 3.95 (s, 2H, cage-CH), 3.78-1.02 (bm, 28H, cage-BH and alkyl-CH); ¹¹B (128.4 MHz, CD₂Cl₂, 30 ^oC, BF₃-Et₂O): δ - 2.3 (s, 2B, BF₄), - 3.6 to - 23.8 (bm, 20BH); ³¹P{¹H} NMR (100.6 MHz, CD₂Cl₂, 30 °C): δ 43.2 (s, ¹J_P-Pt=3207). HRMS (ESI): m/z calcd for C₃₂B₂₀H₅₀ClP₂PtS₂ [M-2BF₄+Cl]⁺: 1006.4172, found: 1006.4129. Calculated for C₃₂B₂₂H₅₀F₈P₂PtS₂: C, 33.55; H, 4.40; found: C, 33.62; H, 4.39. Single crystals suitable for X-Ray studies were grown by slow diffusion of diethyl ether, layered on top of a dichloromethane solution of 4b in a NMR tube.