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Mixed trimers of pyrrole (Py) and benzene (Bz) provide an ideal benchmark to probe this interplay: the robust N-H\u22ef\n                    <jats:italic>\u03c0<\/jats:italic>\n                    interaction anchoring the Py-Bz dimer competes with the drive toward compact, dispersion-stabilized arrangements in larger clusters. Here, we report the first high-resolution structural characterization of the Py-(Bz)\n                    <jats:sub>2<\/jats:sub>\n                    and (Py)\n                    <jats:sub>2<\/jats:sub>\n                    -Bz trimers and the (Py)\n                    <jats:sub>2<\/jats:sub>\n                    -(Bz)\n                    <jats:sub>2<\/jats:sub>\n                    tetramer using chirped-pulse Fourier transform microwave spectroscopy combined with dispersion-corrected DFT calculations and intensity-based cross-correlation analysis. The results show that while N-H\u22ef\n                    <jats:italic>\u03c0<\/jats:italic>\n                    and C-H\u22ef\n                    <jats:italic>\u03c0<\/jats:italic>\n                    interactions serve as primary anchors, the overall geometries are dictated by space-filling principles that maximize dispersion contacts. These findings establish pyrrole-benzene hetero clusters as a rigorous benchmark for theoretical methods and provide fundamental insight into the forces guiding aromatic aggregation and self-assembly in complex molecular systems.\n                  <\/jats:p>","DOI":"10.1038\/s42004-026-02027-1","type":"journal-article","created":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T09:37:20Z","timestamp":1776418640000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Space filling shapes the interaction networks in mixed pyrrole-benzene trimers and tetramers"],"prefix":"10.1038","volume":"9","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4468-1130","authenticated-orcid":false,"given":"Simon","family":"Lobsiger","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2570-3154","authenticated-orcid":false,"given":"Zbigniew","family":"Kisiel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1759-2594","authenticated-orcid":false,"given":"Caroline S.","family":"Glick","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"George C.","family":"Shields","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Brooks H.","family":"Pate","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5248-5212","authenticated-orcid":false,"given":"Crist\u00f3bal","family":"P\u00e9rez","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,4,17]]},"reference":[{"key":"2027_CR1","doi-asserted-by":"publisher","first-page":"4261","DOI":"10.1039\/D2CS00133K","volume":"51","author":"S Jena","year":"2022","unstructured":"Jena, S. et al. 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