Compound 4d

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InChIKey IURYQFRUACRLFK-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 7.96-6.93 (m, 20H, ArH), 3.56-1.32 (m, 18H, cage-BH, Alkyl-CH), 2.16 (s, 6H, cage-CCH₃), 2.08 (bm, 6H, cage-CCH₃); ¹¹B (128.4 MHz, CD₂Cl₂, 30 ^oC, BF₃-Et₂O): δ 0.1 (s, 2B, B-S), - 2.4 (s, 2B, BF₄), - 4.8 to - 15.6 (bm, 18BH); ³¹P{¹H} NMR (100.6 MHz, CD₂Cl₂, 30 °C): δ 48.3 (s, ¹J_P-Pt=3132). HRMS (ESI): m/z calcd for C₃₆ B₂₀H₅₈P₂PtS₂ [M-2BF₄]²⁺: 513.7552, found: 513.7518. Calculated for C₃₆B₂₂H₅₈F₈P₂PtS₂: C, 35.98; H, 4.86; found: C, 36.21; H, 5.18. Single crystals suitable for X-Ray studies were grown by slow diffusion of diethyl ether, layered on top of a dichloromethane solution of 4d in a NMR tube.