TY - JOUR
T1 - (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)
AU - Ohgo, Yoshiki
AU - Yokoyama, Yuki
AU - Hashizume, Daisuke
AU - Neya, Saburo
AU - Nakamura, Mikio
PY - 2012/1
Y1 - 2012/1
N2 - 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.
AB - 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.
KW - Data-to-parameter ratio = 16.2
KW - Disorder in main residue
KW - Mean σ(C-C) = 0.004 Å
KW - R factor = 0.072
KW - Single-crystal X-ray study
KW - T = 296 K
KW - wR factor = 0.246
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U2 - 10.1107/S1600536811052214
DO - 10.1107/S1600536811052214
M3 - Article
C2 - 22259329
AN - SCOPUS:84855390028
SN - 1600-5368
VL - 68
SP - m23-m24
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 1
ER -