Synthesis, characterization and crystal structure of a novel tetranuclear Co(II) cubane cluster

Hong Chen; Jianchun Wu; Mingguo Liu

doi:10.5155/eurjchem.10.3.256-262.1906

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Published: Sep 30, 2019

DOI: https://doi.org/10.5155/eurjchem.10.3.256-262.1906

Keywords:

Crystal structure, DFT calculations, 2-Methylquinolin-8-ol, Transition-metal clusters, Tetranuclear Co(II) cubane, Hydrogen bonding interactions

Section

Research Article

Issue

Vol. 10 No. 3 (2019): September 2019

Dates

Received 2019-06-14
Accepted 2019-07-12
Published 2019-09-30

Hong Chen

Key Laboratory of Radiation Physics and Technology of Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, P. R. China

http://orcid.org/0000-0002-8415-7333

Jianchun Wu

Key Laboratory of Radiation Physics and Technology of Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, P. R. China

http://orcid.org/0000-0002-8227-4640

Mingguo Liu

Hubei Key Laboratory of Natural Products Research and Development, College of Biological and Pharmaceutical Sciences, China Three Gorges University, Yichang 443002, P. R. China

http://orcid.org/0000-0003-2686-3034

Abstract

A new tetranuclear Co(II) cubane cluster 1, [Co₄(L1)₄(L2)₄]·4CH₃CH₂OH (HL1 = 2-Methylquinolin-8-ol, HL2 = t-Bu-COOH), has been synthesized and characterized by X-ray single crystal diffraction, FT-IR, TG/DSC, and elementary analysis. The data reveals that it has a very interesting structural motif consisting of a [Co₄O₄] core in the form of a cube with the Co and O occupying opposite corners. In the crystal structure of complex 1, the molecules are linked by intramolecular C−H···O hydrogen bonding interactions and Van der Waals forces, forming a three-dimensional network structure. Crystal data for complex 1: C₆₀H₆₈Co₄N₄O₁₂, triclinic, space group P-1 (no. 2), with a = 12.0644(4), b = 12.0996(3), c = 20.2858(7) Å, α = 92.005(3)^o, β = 92.182(3)°, γ = 97.943(3)°, Z = 2, V = 2928.25(16) Å³, T = 293 K, μ(MoKα) = 1.178 mm^-1, D_calc = 1.444 g/cm³, 16737 reflections measured (3.00° ≤ θ ≤ 28.53°), 9010 unique (R_int = 0.024, R_sigma = 0.0574) which were used in all calculations. The final R₁ was 0.039 (I≥2σ(I)) and wR₂ was 0.090 (all data).

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Chen, H.; Wu, J.; Liu, M. Synthesis, Characterization and Crystal Structure of a Novel Tetranuclear Co(II) Cubane Cluster. Eur. J. Chem. 2019, 10, 256-262.

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Supporting Agencies

The Analytical & Testing Center of China Three Gorges University, Yichang, China and The Institute of Nuclear Science and Technology, Sichuan University, Chengdu, China.

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