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Isomorphous free-base, Ni(II)- and Cu(II)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons58578

Goddard,  Richard
Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Seidel, R. W., Goddard, R., & Oppel, I. M. (2014). Isomorphous free-base, Ni(II)- and Cu(II)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures. CrystEngComm, 16(45), 10505-10511. doi:10.1039/c4ce01881h.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-BF71-5
Abstract
The crystal structures of 5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate (1), 5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatonickel(II) nitrobenzene hexasolvate (2) and 5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatocopper(II) nitrobenzene hexasolvate (3) are described. Compounds 1–3 crystallise isomorphously in the non-centrosymmetric tetragonal space group P4cc with Z = 8. There are three crystallographically distinct porphyrin molecules, two of which contain fourfold axes perpendicular to the porphyrin plane. The remaining one contains a twofold axis perpendicular to the porphyrin ring system. The porphyrin building blocks are joined into a three-dimensional network through self-complementary O–HO hydrogen bonding interactions between 4-hydroxyphenyl groups of adjacent molecules. The space occupied by the nitrobenzene solvent molecules is remarkably large at ca. 61.5% of the unit cell volume in 1–3.