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Crystal structure of an unknown solvate of (piperazine-kappa N)5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-kappa N-4zinc

Abstract : The title compound, [Zn(C72H44N4O8)(C4H10N2)] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordination geometry about the central Zn-II atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitrogen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn-N(pyrrole) bond length is 2.078 (7) angstrom and the Zn-N(pipz) bond length is 2.1274 (19) angstrom. The zinc cation is displaced by 0.4365 (4) angstrom from the N4C20 mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling deformations. In the crystal, the supramolecular structure is made by parallel pairs of layers along (100), with an interlayer distance of 4.100 angstrom while the distance between two pairs of layers is 4.047 angstrom. A region of electron density was treated with the SQUEEZE [Spek (2015). Acta Cryst. C71, 9-18] procedure in PLATON following unsuccessful attempts to model it as being part of disordered n-hexane solvent and water molecules. The given chemical formula and other crystal data do not take into account these solvent molecules.
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Contributor : Laurent Jonchère <>
Submitted on : Monday, August 29, 2016 - 4:41:24 PM
Last modification on : Wednesday, April 7, 2021 - 3:18:08 PM

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Soumaya Nasri, Khaireddine Ezzayani, Ilona Turowska-Tyrk, Thierry Roisnel, Habib Nasri. Crystal structure of an unknown solvate of (piperazine-kappa N)5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-kappa N-4zinc. Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2016, 72 (7), pp.937--+. ⟨10.1107/S2056989016009269⟩. ⟨hal-01357415⟩



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