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Figure 3
Structural models of Vie-1 and oseltamivir after cell optimization and refinement. (a) Structure of Vie-1 shown in the crystallographic bc plane, illustrating the framework formed through electrostatic interactions coordinating the Nd metal ions with the organic linkers (C40O8). Restraints on bond lengths and angles were generated for (pyrene-1,3,6,8-tetrayl)tetrabenzoic acid as described in Section 2.3[link]. (b) Structure of the organic pharmaceutical oseltamivir (C16N2O4) shown in the ab plane, where the crystal packing is formed by hydrogen-bonding interactions between oseltamivir and (PO4)−. Idealized restraints were generated for bond lengths and angles of the oseltamivir compound. Colour coding for the different atoms is white, brown, blue, red, purple and orange for hydrogen, carbon, nitrogen, oxygen, phosphor and neodymium, respectively. Figures were made using VESTA (Momma & Izumi, 2011BB31).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55| Part 3| June 2022| Pages 647-655
https://doi.org/10.1107/S160057672200276X
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