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- W2427304328 abstract "Crystal structures of solvated unsymmetrically substituted meso-tetraphenylporphyrins, 2,3,12,13,17-pentachloro-5,7,8,10,15,18,20-hepta-phenylporphyrin, H2TPP(Ph)3(Cl)5, 1 and its nickel(II), NiTPP(Ph)3(Cl)5, 2 were determined by single crystal XRD analysis. In addition, a new unsymmetrically substituted porphyrin, 2,3,12,13,17-pentacyano-5,7,8,10,15,18,20-heptaphenyl-porphinato nickel(II) complex, NiTPP(Ph)3(CN)5, 3 complex was synthesized and its solvated structure was examined by crystallography. These porphyrins exhibited dramatic nonplanar conformation of the macrocycle as evidenced from the average displacement of the β-pyrrole carbon (±ΔC β) from the mean plane of the porphyrin ring and the trend in nonplanarity varies in the order: 2 (1.189(5) Å) > 1 (1.036(6) Å) > 3 (0.895(6) Å). The normal-coordinate structural decomposition analysis of these structures revealed mainly saddle distortion of the macrocycle combined with small degree of ruffled or domed distortions. The Hirshfeld surface analysis of structures 1-3 revealed solvate dependent intermolecular contacts with varying degree of H …H (43–49%), C …H (17–19%), H …Cl (25–30%) and N …H (∼19%) contact contributions." @default.
- W2427304328 created "2016-06-24" @default.
- W2427304328 creator A5046664284 @default.
- W2427304328 creator A5052033357 @default.
- W2427304328 creator A5089975792 @default.
- W2427304328 date "2016-06-18" @default.
- W2427304328 modified "2023-09-23" @default.
- W2427304328 title "Crystal structures of unsymmetrically mixed β-pyrrole substituted nickel(II)-meso-tetraphenylporphyrins" @default.
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- W2427304328 doi "https://doi.org/10.1007/s12039-016-1112-2" @default.
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