Crystallography Open Database

Information card for entry 7211726

Preview

Coordinates	7211726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40.33 N10.33 O2.33 Zn
Calculated formula	C47 H40.3333 N10.3333 O2.33333 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	32.437 ± 0.0012 Å
b	14.9728 ± 0.0004 Å
c	27.7263 ± 0.001 Å
α	90°
β	114.155 ± 0.004°
γ	90°
Cell volume	12286.9 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	0.83
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.	7211726.cif
92317	2014-01-12	cif/ Adding structures of 7211725, 7211726, 7211727 via cif-deposit CGI script.	7211726.cif