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dc.creatorDarmanović, Darinka
dc.creatorRadanović, Dušanka
dc.creatorJevtović, Mima
dc.creatorTurel, Iztok
dc.creatorPevec, Andrej
dc.creatorMilčić, Miloš
dc.creatorGruden, Maja
dc.creatorZlatar, Matija
dc.creatorĐorđević, Nataša
dc.creatorAnđelković, Katarina
dc.creatorČobeljić, Božidar
dc.date.accessioned2022-06-14T14:29:15Z
dc.date.available2022-06-14T14:29:15Z
dc.date.issued2022
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/5112
dc.description.abstractSelected bond lengths (Å) and angles (°) of complexes 1 and 2. Comparison of Co-Nthiazole, Co-Nimine and Co-Sthiolate bond lengths (Å) in octahedral Co(III)-N4S2 complexes with thiosemicarbazone based ligands. Comparison of Co-Npy, Co-Nimine, Co-Nazide and Co-Oenolate bond lengths (Å) in octahedral Co(III)N4O2–Co(III)N2O(N3)3 complexes with hydrazone and azide ligands.Hydrogen-bond parameters for complex 1.Intermolecular p×××p interaction parameters for complex 2. Hydrogen-bond parameters for complex 2.Crystal packing of 1 showing self-assembled complex cations within a layer parallel with the (001) lattice plane by means of intermolecular N–H×××N and N–H×××S hydrogen bonds and (b) Intermolecular p×××p interactions between thiazole rings.Crystal packing of 2 showing 2D assembly parallel with the (10-1) lattice plane generated by intermolecular p×××p interactions and C–H×××N hydrogen bonds.Cartesian coordinates of all DFT optimized structures
dc.publisherElsevieren
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200023/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200288/RS//
dc.relationinfo:eu-repo/grantAgreement/ScienceFundRS/Ideje/7750288/RS//
dc.relation.isreferencedbyhttps://cer.ihtm.bg.ac.rs/handle/123456789/5109
dc.relation.isreferencedbyhttps://doi.org/10.1016/j.molstruc.2022.133509
dc.rightsopenAccess
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceJournal of Molecular Structureen
dc.subjectCo(III) complexes
dc.subjectCo(III)
dc.subjectHydrazone
dc.subjectX-ray crystallography
dc.subjectDFT
dc.subjectComputational chemistry
dc.subjectCoordination chemistry
dc.subjecttridentate ligands
dc.subject2-acetylpyridine
dc.subjectGirard's P reagent
dc.subjectoctahedral
dc.subjectmonokis
dc.titleSupplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"en
dc.typedataseten
dc.rights.licenseBY
dc.description.otherThis is a supplementary material of the manuscript: Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N., Anđelković, K.,& Čobeljić, B.. (2022) "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation," Journal of Molecular StructureElsevier., 133509. doi:[https://doi.org/10.1016/j.molstruc.2022.133509]
dc.description.otherAccepted version of the manuscript: [https://cer.ihtm.bg.ac.rs/handle/123456789/5109]
dc.description.otherCrystallographic data (CCDC 2168741): [https://cer.ihtm.bg.ac.rs/handle/123456789/5110]
dc.description.otherCrystallographic data (CCDC 2168742): [https://cer.ihtm.bg.ac.rs/handle/123456789/5111]
dc.identifier.rcubhttps://hdl.handle.net/21.15107/rcub_cer_5112
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/22018/SI-1-s2.0-S0022286022011656-mmc3.pdf
dc.type.versionpublishedVersion


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