{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,21]],"date-time":"2026-08-21T11:34:01Z","timestamp":1787312041812,"version":"build-2736575974"},"reference-count":71,"publisher":"MDPI AG","issue":"13","license":[{"start":{"date-parts":[[2023,6,21]],"date-time":"2023-06-21T00:00:00Z","timestamp":1687305600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"J\u00fclich Aachen Research Alliance","award":["jara0033"],"award-info":[{"award-number":["jara0033"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Fe[C5H5N]2[N(CN)2]2 (1) was synthesized from a reaction of stoichiometric amounts of NaN(CN)2 and FeCl2\u03874H2O in a methanol\/pyridine solution. Single-crystal and powder diffraction show that 1 crystallizes in the monoclinic space group I2\/m (no. 12), different from Mn[C5H5N]2[N(CN)2]2 (P21\/c, no. 14) due to tilted pyridine rings, with a = 7.453(7) \u00c5, b = 13.167(13) \u00c5, c = 8.522(6) \u00c5, \u03b2 = 114.98(6)\u00b0 and Z = 2. ATR-IR, AAS, and CHN measurements confirm the presence of dicyanamide and pyridine. Thermogravimetric analysis shows that \u03c0-stacking interactions of the pyridine rings play an important role in structural stabilization. Based on DFT-optimized structures, a chemical bonding analysis was performed using a local-orbital framework by projection from a plane-wave basis. The resulting bond orders and atomic charges are in good agreement with the expectations based on the structure analysis. SQUID magnetic susceptibility measurements show a high-spin state FeII compound with predominantly antiferromagnetic exchange interactions at lower temperatures.<\/jats:p>","DOI":"10.3390\/molecules28134886","type":"journal-article","created":{"date-parts":[[2023,6,21]],"date-time":"2023-06-21T03:18:38Z","timestamp":1687317518000},"page":"4886","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C5H5N]2[N(CN)2]2"],"prefix":"10.3390","volume":"28","author":[{"given":"Laura","family":"Henrich","sequence":"first","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peter C.","family":"M\u00fcller","sequence":"additional","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jan","family":"Hempelmann","sequence":"additional","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3383-9243","authenticated-orcid":false,"given":"Markus","family":"Mann","sequence":"additional","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"},{"name":"Institute of Energy and Climate Research (IEK-1) Materials Synthesis and Processing, Forschungszentrum J\u00fclich GmbH, Wilhelm-Johnen-Stra\u00dfe, 52425 J\u00fclich, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jan","family":"van Leusen","sequence":"additional","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8022-7018","authenticated-orcid":false,"given":"Simon","family":"Steinberg","sequence":"additional","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1925-9624","authenticated-orcid":false,"given":"Richard","family":"Dronskowski","sequence":"additional","affiliation":[{"name":"Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen, Germany"},{"name":"Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic, 7098 Liuxian Blvd, Nanshan District, Shenzhen 518055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,6,21]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1021\/j150415a013","article-title":"X-ray diffraction studies on heavy-metal iron cyanides","volume":"46","author":"Weiser","year":"1942","journal-title":"J. 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