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Re-refinement of dineodymium tris-[sulfate-(VI)] tetra-hydrate
Suwadee Jiajaroen1, Chatphorn Theppitak2, Sakchai Laksee3
1Division of Science and Mathematic Faculty of Science and Technology Rajamangala University of Technology Tawan-ok Bangpra Sriracha Chonburi 20110 Thailand.
Abstract:
The crystal structure of the title compound, poly[tetraaquatri-μ-sulfato-dineodymium], [Nd2(SO4)3(H2O)4] n , was re-refined from modern CCD-based single-crystal X-ray diffraction data. In comparison with the original report [Bede (1987 ▸). Jiegou Huaxue, 6, 70-74], the re-refinement shows improved precision and accuracy, with all hydrogen atoms being located. The crystal structure comprises two crystallographically independent NdIII sites. One adopts a capped square-anti-prismatic and the other a square-anti-prismatic coordination environment. The cations are inter-connected by bridging sulfato ligands into a framework structure that is reinforced by classical O-H⋯O hydrogen-bonding inter-actions of medium to weak strengths.
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