The crystal structure and electron density of tetraphenyl-silicon, (C6H5)4Si

Abstract

Abstract The crystal structure and electron density of tetraphenyl-silicon, (C6H5)4Si, (a 0 = 11.450(2), c 0 = 7.063(1) Å, P[unk]21 c, Z = 2) has been studied by single crystal X-ray diffraction. Data were collected up to 2θ max = 70° (s max = 0.81 Å−1). The final agreement factors of the all-data refinement were R overall = 0.027 and R w = 0.033 (omitting unobserved intensities). The electron redistribution due to chemical bonding was studied by calculating (X – XHO) difference density maps with the atomic parameters from a semi-high-order (HO) refinement with reflections of s > 0.48 Å−1. The deformation density distribution associated with the Si – C bond compares qualitatively well with the Si – O bonds found in forsterite, Mg2SiO4, and quartz, SiO2.