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ABSTRACT:
SUBMITTER: Chocolatl Torres M
PROVIDER: S-EPMC8382053 | biostudies-literature | 2021 Jul
REPOSITORIES: biostudies-literature
Chocolatl Torres Misael M Bernès Sylvain S Salazar Kuri Ulises U
Acta crystallographica. Section E, Crystallographic communications 20210604 Pt 7
The crystal structure model for potassium tri-iodido-mercurate(II) monohydrate, K[HgI<sub>3</sub>]·H<sub>2</sub>O, based on single-crystal data, was reported 50 years ago [Nyqvist & Johansson (1971 ▸). <i>Acta Chem. Scand</i>. <b>25</b>, 1615-1629]. We have now redetermined this structure with X-ray diffraction data at 0.70 Å resolution collected at 153 K using Ag <i>K</i>α radiation. Combined quantum mechanical methods (<i>ORCA</i>) and computation of non-spherical scattering form factors (<i>N ...[more]