20.500.12556/RUL-184824 Two cobalt(II) coordination compounds with 3-hydroxypyridine with thiocyanate or deprotonated bridging ligand, and comparison with isostructural analogs research data underlying the article Two cobalt(II) coordination compounds with 3-hydroxypyridine, [Co(3-pyOH)$_4$(NCS)$_2$] (1) and [Co(3-pyOH)$_2$(μ-3-pyO)$_2$]$_n$ (2), were synthesised from aqueous solution and characterised by single-crystal X-ray diffraction, infrared spectroscopy, elemental analysis, and magnetic susceptibility measurements. Compound 1 is a discrete centrosymmetric complex in which the Co(II) ion adopts a slightly distorted octahedral N$_6$ coordination environment formed by four neutral 3-pyOH ligands and two terminal N-bonded thiocyanate ligands. Compound 2 is a two-dimensional coordination polymer containing both neutral 3-pyOH and deprotonated μ-3-pyO$^-$ ligands, with the Co(II) ion in a distorted octahedral N$_2$O$_4$ donor environment. The crystal packing of both compounds is supported by hydrogen-bonding interactions and π–π stacking between pyridine rings. Hirshfeld surface analysis was used to evaluate the main close contacts contributing to the crystal packing. Infrared spectroscopy supports the structural assignments, particularly the presence of terminal N-bonded thiocyanate ligands in 1, while magnetic measurements indicate high-spin octahedral Co(II) centres in both compounds. The structures are compared with isostructural Ni(II), Mn(II) and Cd(II) coordination compounds. crystal structure coordination chemistry 3-hydroxypyridine thiocyanate cobalt(II) kristalna struktura koordinacijska kemija 3-hidroksipiridin tiocianat kobalt(II) true false false Angleški jezik Slovenski jezik Neznano 2026-07-15 14:04:53 2026-07-15 21:19:13 2026-07-17 03:51:21 0000-00-00 00:00:00 2026 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 README.docx README.docx README 1 33C447373CB9622E75F04BBEDA50B515 fe39b44596227953f274ac50a41a8d3dd08a2dc55deed27f733e2ec37f7d01b4 92df7383-8045-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=240123 Research_data.zip Research_data.zip Research data 1 92E06B4488812568469976AF8C163150 1d1c91476e7f57b5b7b46a30826b6a5d446897ad127629b2a7ccfae7604f678b 9652f0b7-8045-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=240124 Fakulteta za kemijo in kemijsko tehnologijo Meritve in testi 0 0 0