Crystal structure and Hirshfeld surface analysis of poly[tris(μ4-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network

Cesario Ajpi; Leopoldo Suescun; Naviana Leiva; Anders Lundblad; Göran Lindbergh; Saul Cabrera

doi:10.1107/S2056989019014658

Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network

Cesario Ajpi, Leopoldo Suescun, Naviana Leiva, Anders Lundblad, Göran Lindbergh, Saul Cabrera

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.

Original language	English
Pages (from-to)	1839-1843
Number of pages	5
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	75
DOIs	https://doi.org/10.1107/S2056989019014658
State	Published - 1 Dec 2019

Bibliographical note

Funding Information:
This research was provided by: ASDI (Swedish International Development Agency); KHT (Royal Institute of Technology) University, Department of Applied Electrochemistry; UMSA (Universidad Mayor de San André s), Departament of Inorganic Chemistry and Materials Science/ Advanced Materials, IIQ Chemical Research Institute; PEDECIBA Química (Uruguay) (grant to L. Suescun).

Funding Information:
Funding for this research was provided by: ASDI (Swedish International Development Agency); KHT (Royal Institute of Technology) University, Department of Applied Electrochemistry; UMSA (Universidad Mayor de San Andrés), Departament of Inorganic Chemistry and Materials Science/ Advanced Materials, IIQ Chemical Research Institute; PEDECIBA Química (Uruguay) (grant to L. Suescun).

Funding Information:
aDepartament of Inorganic Chemistry and Materials Science/Advanced Materials, IIQ Chemical Research Institute, UMSA Universidad Mayor de San Andres, La Paz, Bolivia, bCryssmat-Lab/DETEMA, Facultad de Quimica, Universidad de la Republica, Montevideo, Uruguay, cDivision of Safety and Transport/Electronics, RISE, Research Institutes of Sweden, SE-50462 Borås, Sweden, and dDepartment of Chemical Engineering, Applied Electrochemistry, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden. *Correspondence e-mail: cesario.ajpi@gmail.com, leopoldo@fq.edu.uy, saulcabreram@hotmail.com

Publisher Copyright:
© Acta Cryst. 2019.

Keywords

Ni metal-organic coordination network
crystal structure
layered structure
terephthalate

Access to Document

10.1107/S2056989019014658

Cite this

Ajpi, C., Suescun, L., Leiva, N., Lundblad, A., Lindbergh, G., & Cabrera, S. (2019). Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network. Acta Crystallographica Section E: Crystallographic Communications, 75, 1839-1843. https://doi.org/10.1107/S2056989019014658

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abstract = "The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.",

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Ajpi, C, Suescun, L, Leiva, N, Lundblad, A, Lindbergh, G & Cabrera, S 2019, 'Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network', Acta Crystallographica Section E: Crystallographic Communications, vol. 75, pp. 1839-1843. https://doi.org/10.1107/S2056989019014658

Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)] : a two-dimensional coordination network. / Ajpi, Cesario; Suescun, Leopoldo; Leiva, Naviana et al.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 75, 01.12.2019, p. 1839-1843.

Research output: Contribution to journal › Article › peer-review

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AU - Ajpi, Cesario

AU - Suescun, Leopoldo

AU - Leiva, Naviana

AU - Lundblad, Anders

AU - Lindbergh, Göran

AU - Cabrera, Saul

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N2 - The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.

AB - The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.

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Ajpi C, Suescun L, Leiva N, Lundblad A, Lindbergh G, Cabrera S. Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network. Acta Crystallographica Section E: Crystallographic Communications. 2019 Dec 1;75:1839-1843. https://doi.org/10.1107/S2056989019014658