Crystallography Open Database

Information card for entry 4114232

Preview

Coordinates	4114232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C298.2 H346.8 Cl6.7 N24 O12.3 Zn6
Calculated formula	C298.2 H323.5 Cl6.7 N24 O12.3 Zn6
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	22.74 ± 0.004 Å
b	22.735 ± 0.003 Å
c	30.569 ± 0.005 Å
α	74.971 ± 0.005°
β	88.762 ± 0.006°
γ	59.955 ± 0.004°
Cell volume	13101 ± 4 Å³
Cell temperature	123.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.853
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4114232.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114232.cif
67517	2012-09-27	cif/ Adding structures of 4114232 via cif-deposit CGI script.	4114232.cif