Crystal structure of CdSO4(H2O): a redetermination

Acta Crystallographica Section E: Crystallographic Communications

Theppitak, C.¹  Chainok, K.² 

[1] Department of Chemistry, Faculty of Science, Naresuan University, Muang, Phitsanulok, 65000, Thailand;Department of Physics, Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12120, Thailand

关键词: CRYSTAL STRUCTURE;    REDETERMINATION;    CADMIUM SULFATE MONOHYDRATE;    HYDROTHERMAL SYNTHESIS;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015016904

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The crystal structure of the title compound, cadmium sulfate monohydrate or poly[(μ2-aqua)(μ4-sulfato)­cadmium], was redetermined based on modern CMOS (complementary metal oxide silicon) data. In comparison with the previous study [Bregeault & Herpin (1970). Bull. Soc. Fr. Mineral. Cristallogr. 93, 37–42], all non-H atoms were refined with anisotropic displacement parameters and the hydrogen-bonding pattern unambiguously established due to location of the hydrogen atoms. In addition, a significant improvement in terms of precision and accuracy was achieved. In the crystal, the Cd2+ cation is coordinated by four O atoms of four sulfate anions and two O atoms of water mol­ecules, forming a distorted octa­hedral trans-[CdO6] polyhedron. Each sulfate anion bridges four Cd2+ cations and each water mol­ecule bridges two Cd2+ cations, leading to the formation of a three-dimensional framework, with Cd⋯Cd separations in the range 4.0757 (2)–6.4462 (3) Å. O—H⋯O hydrogen-bonding inter­actions of medium strength between the coordinating water mol­ecules and sulfate anions consolidate the crystal packing.

【 授权许可】

CC BY