dc.contributor.author | Plutenko, Maksym O. | |
dc.contributor.author | Haukka, Matti | |
dc.contributor.author | Husak, Alina O. | |
dc.contributor.author | Golenya, Irina A. | |
dc.contributor.author | Mulloev, Nurullo U. | |
dc.date.accessioned | 2021-11-16T06:17:06Z | |
dc.date.available | 2021-11-16T06:17:06Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Plutenko, M. O., Haukka, M., Husak, A. O., Golenya, I. A., & Mulloev, N. U. (2021). A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium] : crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization. <i>Acta Crystallographica Section E : Crystallographic Communications</i>, <i>77</i>(12), Article E77. <a href="https://doi.org/10.1107/s2056989021011774" target="_blank">https://doi.org/10.1107/s2056989021011774</a> | |
dc.identifier.other | CONVID_101872916 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/78668 | |
dc.description.abstract | The title compound, poly[triaquabis[4-N,N0 -(1,3,5-oxadiazinane-3,5-diyl)bis- (carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2- (H2O)3]n, is a second solvatomorph of poly[(4-N,N0 -(1,3,5-oxadiazinane-3,5- diyl)bis(carbamoylmethanoato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C7H6N4O7)]2, which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the title compound forms a layered structure in which layers of negatively charged complex anions and positively charged potassium cations are stacked along the a-axis direction. The polymeric framework is stabilized by a system of hydrogen-bonding interactions in which the water molecules act as donors and the carboxylic, amide and water O atoms act as acceptors. | en |
dc.format.mimetype | application/pdf | |
dc.language.iso | eng | |
dc.publisher | International Union of Crystallography | |
dc.relation.ispartofseries | Acta Crystallographica Section E : Crystallographic Communications | |
dc.rights | CC BY 4.0 | |
dc.subject.other | nickel(II) complex | |
dc.subject.other | template reaction | |
dc.subject.other | pseudomacrocyclic ligand | |
dc.subject.other | hydrazide-based ligand | |
dc.subject.other | SHAPE analysis | |
dc.subject.other | Hirshfeld surface analysis | |
dc.subject.other | semi-empirical geometry optimization | |
dc.subject.other | crystal structure | |
dc.title | A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium] : crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization | |
dc.type | research article | |
dc.identifier.urn | URN:NBN:fi:jyu-202111165681 | |
dc.contributor.laitos | Kemian laitos | fi |
dc.contributor.laitos | Department of Chemistry | en |
dc.contributor.oppiaine | Epäorgaaninen kemia | fi |
dc.contributor.oppiaine | Epäorgaaninen ja analyyttinen kemia | fi |
dc.contributor.oppiaine | Inorganic Chemistry | en |
dc.contributor.oppiaine | Inorganic and Analytical Chemistry | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 2056-9890 | |
dc.relation.numberinseries | 12 | |
dc.relation.volume | 77 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © Authors, 2021 | |
dc.rights.accesslevel | openAccess | fi |
dc.type.publication | article | |
dc.subject.yso | kiteet | |
dc.subject.yso | kompleksiyhdisteet | |
dc.subject.yso | nikkeli | |
dc.format.content | fulltext | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p15440 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p30190 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p19926 | |
dc.rights.url | https://creativecommons.org/licenses/by/4.0/ | |
dc.relation.doi | 10.1107/s2056989021011774 | |
jyx.fundinginformation | This work was supported by the Ministry of Education and Science of Ukraine: Grant of the Ministry of Education and Science of Ukraine for perspective development of a scientific direction ‘Mathematical sciences and natural sciences’ at Taras Shevchenko National University of Kyiv. | |
dc.type.okm | A1 | |