Crystallography Open Database

Information card for entry 7211725

Preview

Coordinates	7211725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H36.83 N9.83 O1.83 Zn
Calculated formula	C26.6667 H16 N5.33333 Zn0.666667
Title of publication	Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide
Authors of publication	Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	2
Pages of publication	387
a	23.958 ± 0.002 Å
b	23.958 ± 0.002 Å
c	15.0646 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	8646.9 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7211725.cif
92317	2014-01-12	cif/ Adding structures of 7211725, 7211726, 7211727 via cif-deposit CGI script.	7211725.cif