Crystallography Open Database

Information card for entry 7211727

Preview

Coordinates	7211727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 N10 O2 Zn
Calculated formula	C46 H38 N10 O2 Zn
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	12.7667 ± 0.0016 Å
b	17.478 ± 0.002 Å
c	20.151 ± 0.003 Å
α	112.292 ± 0.002°
β	95.972 ± 0.002°
γ	98.064 ± 0.002°
Cell volume	4058.1 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0488
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180448 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17.	7211727.cif
92317	2014-01-12	cif/ Adding structures of 7211725, 7211726, 7211727 via cif-deposit CGI script.	7211727.cif