Crystallography Open Database

Information card for entry 4114233

Preview

Coordinates	4114233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H110 N10 O2 Zn2
Calculated formula	C100 H110 N10 O2 Zn2
Title of publication	Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid
Authors of publication	Hidemitsu Uno; Akane Masumoto; Noboru Ono
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12082 - 12083
a	10.093 ± 0.002 Å
b	12.653 ± 0.002 Å
c	16.267 ± 0.003 Å
α	89.477 ± 0.007°
β	85.161 ± 0.007°
γ	86.061 ± 0.007°
Cell volume	2065.1 ± 0.6 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.238
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114233.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114233.cif
67518	2012-09-27	cif/ Adding structures of 4114233 via cif-deposit CGI script.	4114233.cif