(12,17-diethoxycarbonyl-11,18-dimethyl-2,3: 6,7-dibutanocorrphycenato) copper(II)-12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene(3/ 97)

Yoshiki Ohgo, Yuki Yokoyama, Daisuke Hashizume, Saburo Neya, Mikio Nakamura

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Abstract

The corrphycene molecule of the title compound, [Cu(C 36H 36- N 4O 4)] 0.034.0.966C 36H 38N 4O 4, has an essentially planar macrocyclic framwork with a slightly distorted trapezoidal N 4 core; the r.m.s. deviation of the peripheral 20 C atoms and four N atoms is 0.054(3) Å. The surface area within the N 4 - coordinating core (8.358 Å 2) is significantly smaller than that (8.503 Å 2) of the corresponding free-base porphyrin. Two intramolecular N-H··· N hydrogen bonds are observed. Detailed structure analysis clarified that the co-crystallization of the free-base corrphycene together with a quite minor component (ca 3%) of corrphycenato-Cu II occurred in the recrystallization process.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number1
DOIs
Publication statusPublished - 2012 Jan

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Keywords

  • Data-to-parameter ratio = 16.2
  • Disorder in main residue
  • Mean σ(C-C) = 0.004 Å
  • R factor = 0.072
  • Single-crystal X-ray study
  • T = 296 K
  • wR factor = 0.246

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

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