A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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 (2021)

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. Acta Crystallographica Section E : Crystallographic Communications, 77(12), Article E77. https://doi.org/10.1107/s2056989021011774

JYU-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Golenya, Irina A.; Mulloev, Nurullo U.

Lehti tai sarja: Acta Crystallographica Section E : Crystallographic Communications

eISSN: 2056-9890

Julkaisuvuosi: 2021

Ilmestymispäivä: 12.11.2021

Volyymi: 77

Lehden numero: 12

Artikkelinumero: E77

Kustantaja: International Union of Crystallography

Julkaisumaa: Yhdysvallat (USA)

Julkaisun kieli: englanti

DOI: https://doi.org/10.1107/s2056989021011774

Julkaisun avoin saatavuus: Avoimesti saatavilla

Julkaisukanavan avoin saatavuus: Kokonaan avoin julkaisukanava

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/78668

Tiivistelmä

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.

YSO-asiasanat: kompleksiyhdisteet; nikkeli; kiteet

Vapaat asiasanat: nickel(II) complex; template reaction; pseudomacrocyclic ligand; hydrazide-based ligand; SHAPE analysis; Hirshfeld surface analysis; semi-empirical geometry optimization; crystal structure

Liittyvät organisaatiot

OKM-raportointi: Kyllä

Raportointivuosi: 2021

JUFO-taso: 1