In:
Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography (IUCr), Vol. 74, No. 6 ( 2018-06-01), p. 728-733
Abstract:
The rational selection of ligands is vitally important in the construction of new organic–inorganic hybrid three-dimensional perovskite complexes. As part of an exploration of perovskite-type materials, two new Na–I compounds based on the piperazine ligand, namely poly[piperazinediium [tri-μ-iodido-sodium]], {(C 4 H 12 N 2 )[NaI 3 ]} n , 1 , and catena -poly[tris(piperazinediium) [[triiodidosodium]-μ-iodido] triiodide monohydrate], {(C 4 H 12 N 2 ) 3 [NaI 4 ]I 3 ·H 2 O} n , 2 , have been synthesized by adjusting the stoichiometric ratio of sodium iodide and piperazine, and were characterized by single-crystal X-ray diffraction. In the crystal structures of 1 and 2 , each Na I cation is linked to six I atoms, but the compounds show completely different configurations. In 1 , the structure includes a perovskite-like array of vertex-sharing NaI 6 octahedra stretching along the direction of the three axes, and each piperazinediium dication is enclosed in the NaI 3 perovskite cage. However, in 2 , each Na I atom bridges a single I atom to form a one-dimensional linear chain, and complex intermolecular hydrogen bonds connect these one-dimensional chains into a three-dimensional supramolecular network.
Type of Medium:
Online Resource
ISSN:
2053-2296
DOI:
10.1107/S2053229618006885
DOI:
10.1107/S2053229618006885/qp3008sup1.cif
DOI:
10.1107/S2053229618006885/qp3008C2Csup2.hkl
DOI:
10.1107/S2053229618006885/qp3008Csup3.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2018
detail.hit.zdb_id:
2025703-X
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