Samolová Erika, Fábry Jan
Inst. of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech Republic.
IUCrdata. 2020 Oct 6;5(Pt 10):x201311. doi: 10.1107/S2414314620013115. eCollection 2020 Oct.
The crystal structure of the title complex, [Pb(CHO)(HO)] , was redetermined on basis of modern CCD-based single-crystal X-ray data at 120 K. The current study basically confirms the previous report [Fallon (1997 ▸). , , 19-23] at 190 K, but with higher accuracy and precision. In particular, positional disorder of one of the 2-methyl-propano-ate anions over two sets of sites was resolved, showing a refined ratio of the disorder components of 0.535 (9):0.465 (9). The three independent cations in the structure have coordination numbers of [7 + 1], [6 + 1], and [5 + 3], with O atoms belonging either to carboxyl-ate groups or water mol-ecules. This arrangement leads to the formation of sheets parallel to (01), whereby the hydro-phobic 2-methyl-propanyl groups of the anions are oriented above and below the hydro-philic sheets to form a layered structure. Within a sheet, hydrogen bonds of the type O-H⋯O are formed, whereas the hydro-phobic groups between adjacent layers inter-act through van der Waals forces.
标题配合物[Pb(CHO)(HO)]的晶体结构是基于现代基于电荷耦合器件（CCD）的单晶X射线数据在120 K下重新测定的。当前研究基本证实了之前在190 K时的报道[法伦（1997 ▸）。，，19 - 23]，但具有更高的准确性和精度。特别是，2 - 甲基丙酸根阴离子之一在两组位置上的位置无序得以解析，显示无序组分的精修比例为0.535 (9):0.465 (9)。结构中的三个独立阳离子的配位数分别为[7 + 1]、[6 + 1]和[5 + 3]，氧原子属于羧酸根基团或水分子。这种排列导致形成平行于(01)的片层，其中阴离子的疏水2 - 甲基丙基基团在亲水片层的上方和下方取向，形成层状结构。在一个片层内，形成了O - H⋯O型氢键，而相邻层之间的疏水基团通过范德华力相互作用。
