| Summary: | The Pt<sup>II</sup> isocyanide complex [Pt(ppy)Cl(CNC<sub>6</sub>H<sub>4</sub>-C≡C-Ph)] (<b>1</b>, Hppy=2-phenylpyridine) was co-crystallized with 1,4-diiodotetrafluorobenzene (1,4-DITFB), yielding <b>1</b>·½(1,4-DITFB) adduct. The I···Cl halogen-bonding and π-π-stacking interactions combined with the rare π-hole(isocyano group)⋅⋅⋅<i>d</i><sub>z</sub><sup>2</sup>[Pt<sup>II</sup>] interactions were identified via analysis of X-ray diffraction data of the co-crystals. These two types of structure-determining interactions supplemented each other, and the system of I⋯Cl and π-hole(isocyano group)⋅⋅⋅<i>d</i><sub>z</sub><sup>2</sup>[Pt<sup>II</sup>] contacts achieved a 1D extended ladder-type architecture. The density functional theory calculations, employing a set of computational tools, verified the role of I⋯Cl and π-hole(isocyano group)⋅⋅⋅<i>d</i><sub>z</sub><sup>2</sup>[Pt<sup>II</sup>] noncovalent bonds in the spectrum of noncovalent forces. The solid-state photophysical study revealed an amplification of luminescence intensity in the co-crystals, which is attributed to the suppression of the nonradiative relaxation pathways due to an increase in the rigidity of the chromophore center.
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