Crystal structure and Hirshfeld analysis of poly[bis( <i>N</i> , <i>O</i> -dimethylhydroxylammonium) [di-μ <sub>2</sub> -iodido-diiodidoplumbate(II)]]

The title compound, {(C<sub>2</sub>H<sub>8</sub>NO)<sub>2</sub>[PbI<sub>4</sub>]} <sub><i>n</i></sub> , represents a layered organic-inorganic perovskite, crystallizing in space group <i>C</i>2/<i>c</i>. The asymmetric unit comprises one <i>N</i>,<i>O</i>-di-methyl-hydroxyl-ammonium cation, one Pb<sup>2+</sup> cation located on a twofold rotation axis, and two iodide anions. The Pb<sup>2+</sup> cation is coordinated by six iodido ligands, generating a slightly distorted octa-hedral {PbI<sub>6</sub>} unit. The octa-hedra are connected by corner-sharing of equatorial I<sup>-</sup> ligands to form polymeric inorganic sheets extending parallel to the <i>ab</i> plane. These sheets are separated by double layers of the organic cations, producing a typical di-periodic perovskite-type arrangement with stacking of the layers along the <i>c</i> axis. Neighbouring inorganic layers are shifted relative to each other along both the <i>a</i> and <i>b</i> axes. The <i>N</i>,<i>O</i>-di-methyl-hydroxyl-ammonium cation engages in two N-H⋯I hydrogen bonds directed toward axially bound iodido ligands, which consolidates the packing of the crystal structure.

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Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2025-11-11
DOI
https://doi.org/10.1107/s2056989025009661
Primary Topic
Perovskite Materials and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Crystal structure and Hirshfeld analysis of poly[bis( N , O -dimethylhydroxylammonium) [di-μ 2 -iodido-diiodidoplumbate(II)]]

Hanna R. Petrosova, V.A. Pavlenko, Mircea-Odin Apostu, Oleksandr A. Semenikhin et al.
Acta Crystallographica Section E Crystallographic Communications
Perovskite Materials and Applications
article

Crystal structure and Hirshfeld analysis of poly[bis( N , O -dimethylhydroxylammonium) [di-μ 2 -iodido-diiodidoplumbate(II)]]

Hanna R. Petrosova, V.A. Pavlenko, Mircea-Odin Apostu, Oleksandr A. Semenikhin, Діна Д. Наумова
article en

Abstract

The title compound, {(C<sub>2</sub>H<sub>8</sub>NO)<sub>2</sub>[PbI<sub>4</sub>]} <sub><i>n</i></sub> , represents a layered organic-inorganic perovskite, crystallizing in space group <i>C</i>2/<i>c</i>. The asymmetric unit comprises one <i>N</i>,<i>O</i>-di-methyl-hydroxyl-ammonium cation, one Pb<sup>2+</sup> cation located on a twofold rotation axis, and two iodide anions. The Pb<sup>2+</sup> cation is coordinated by six iodido ligands, generating a slightly distorted octa-hedral {PbI<sub>6</sub>} unit. The octa-hedra are connected by corner-sharing of equatorial I<sup>-</sup> ligands to form polymeric inorganic sheets extending parallel to the <i>ab</i> plane. These sheets are separated by double layers of the organic cations, producing a typical di-periodic perovskite-type arrangement with stacking of the layers along the <i>c</i> axis. Neighbouring inorganic layers are shifted relative to each other along both the <i>a</i> and <i>b</i> axes. The <i>N</i>,<i>O</i>-di-methyl-hydroxyl-ammonium cation engages in two N-H⋯I hydrogen bonds directed toward axially bound iodido ligands, which consolidates the packing of the crystal structure.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 81(12)
Alexandru Ioan Cuza University (RO), Taras Shevchenko National University of Kyiv (UA)
Ministry of Education and Science of Ukraine
Openalex Percentile: Top 67%
Perovskite Materials and Applications
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Crystal structure and Hirshfeld analysis of poly[bis( <i>N</i> , <i>O</i> -dimethylhydroxylammonium) [di-μ <sub>2</sub> -iodido-diiodidoplumbate(II)]] — Hanna R. Petrosova, V.A. Pavlenko, et al. · Acta Crystallographica Section E Crystallographic Communications (2025) | TGRS Research Map | TGRS