Abstract
The crystal structure of the title compound, [Ni6(C13H10NO2)4(N3)8(CH3OH)8]·6CH3OH, consists of a centrosymmetric hexanuclear [NiII 6(C13H10NO2)4(N3)8(CH3OH)8] molecule and six methanol solvent molecules. In the hexanuclear unit, the six octahedrally coordinated NiII atoms are linked by four μ1,1,1-azide and four μ1,1-azide bridges, forming a face-sharing Ni6N8 tetracubane-like unit with four missing corners. The NiII atoms are further bridged by four μ1,2-carboxalate groups. Neighbouring hexanuclear units are connected via N—H⋯O hydrogen-bonding interactions into a three-dimensional structure. Although the H atoms of the methanol OH groups could not be located, O⋯N/O contacts between 2.65 and 2.86 Å suggest that these molecules participate in hydrogen bonding.
Highlights
The crystal structure of the title compound, [Ni6(C13H10NO2)4(N3)8(CH3OH)8]6CH3OH, consists of a centrosymmetric hexanuclear [NiII6(C13H10NO2)4(N3)8(CH3OH)8] molecule and six methanol solvent molecules
The six octahedrally coordinated NiII atoms are linked by four 1,1,1-azide and four 1,1-azide bridges, forming a facesharing Ni6N8 tetracubane-like unit with four missing corners
The NiII atoms are further bridged by four 1,2-carboxalate groups
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.007 Å; Hatom completeness 86%; R factor = 0.046; wR factor = 0.127; data-to-parameter ratio = 14.0. The crystal structure of the title compound, [Ni6(C13H10NO2)4(N3)8(CH3OH)8]6CH3OH, consists of a centrosymmetric hexanuclear [NiII6(C13H10NO2)4(N3)8(CH3OH)8] molecule and six methanol solvent molecules. The six octahedrally coordinated NiII atoms are linked by four 1,1,1-azide and four 1,1-azide bridges, forming a facesharing Ni6N8 tetracubane-like unit with four missing corners. The NiII atoms are further bridged by four 1,2-carboxalate groups. N—H O hydrogen-bonding interactions into a threedimensional structure. 2.65 and 2.86 Å suggest that these molecules participate in hydrogen bonding
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