{
  "abstract": "Five new solvate forms of the com­plex bis­(thio­cyanato-κN)[tris­(pyridin-2-ylmeth­yl)amine-κ4N,N′,N′′,N′′′]iron(II), [Fe(NCS)2(C18H18N4)] or [Fe(NCS)2(tpa)], a known spin-crossover com­pound, are reported. Among the incorporated solvents are all four phenyl monohalides (fluoro-, chloro-, bromo- and iodo­benzene) and pyridine. Through variable-tem­per­a­ture single-crystal X-ray diffraction, we characterized the transition by means of lattice parameters, Fe—N bond lengths and distortion of the coordination sphere. The structures remain isostructural across the com­pound series, but exhibit distinct transition tem­per­a­tures indicating a solvate-dependent behaviour. Hirshfeld surface, noncovalent inter­action analyses and energy frameworks provide a more detailed view of how the structural response affects the inter­molecular inter­action network. In particular, the tem­per­a­ture dependence of the dominant pairwise inter­action along the crystallographic b direction closely mirrors the evolution of the b-axis lattice parameter, suggesting that this inter­action plays a key role in directing the structural response to spin crossover. Our com­parison demonstrates that different transition behaviour is not caused by one fundamental change in the packing architecture but rather by subtle solvate-dependent changes.",
  "abstract_shown": true,
  "affiliations": [
    "RWTH Aachen University, Institut für Anorganische Chemie, Landoltweg 1a, 52074 Aachen, Germany"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Daniel Brüx",
      "orcid": "0009-0008-1483-2859"
    },
    {
      "affs": [
        0
      ],
      "name": "Johannes Bartusel",
      "orcid": "0009-0009-5438-5675"
    },
    {
      "affs": [
        0
      ],
      "name": "Florian Kleemiss",
      "orcid": "0000-0002-3631-1535"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/5z8z55e0pmj2x.bib",
  "cited_by": 0,
  "doi": "10.1107/s2053229626010740",
  "fulltext_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13735075/",
  "id": "5z8z55e0pmj2x",
  "issns": [
    "2053-2296"
  ],
  "landing_url": "https://doi.org/10.1107/s2053229626010740",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Early Career Research"
    ],
    [
      "openalex",
      "2504|Magnetism in coordination complexes"
    ]
  ],
  "openalex": "W7223057919",
  "pdf_url": null,
  "pmcid": "PMC13735075",
  "pmid": "42900189",
  "published": "2026-10-20",
  "publisher": "International Union of Crystallography",
  "ris": "https://research.draconitic.com/paper/5z8z55e0pmj2x.ris",
  "sources": [
    {
      "first_seen": "2026-11-09T12:20:51Z",
      "native_id": "PMC13735075",
      "source": "pmc",
      "url": "https://doi.org/10.1107/s2053229626010740"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2504|Magnetism in coordination complexes",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Analysis of lattice changes and weak inter­actions in a series of sol­vato­morphic isostructural spin-crossover com­pounds",
  "title_text": "Analysis of lattice changes and weak inter­actions in a series of sol­vato­morphic isostructural spin-crossover com­pounds",
  "type": "peer-reviewed",
  "updated_at": "2026-11-09T12:20:51Z",
  "url": "https://research.draconitic.com/paper/5z8z55e0pmj2x",
  "venue": "Acta Crystallographica Section C: Structural Chemistry",
  "versions": []
}