Crystallography Open Database

Information card for entry 7214662

Preview

Coordinates	7214662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 N4 O6 S2 Zn
Calculated formula	C40 H36 N4 O6 S2 Zn
Title of publication	Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks
Authors of publication	Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5801
a	8.6855 ± 0.0015 Å
b	12.7109 ± 0.0018 Å
c	18.183 ± 0.003 Å
α	91.81 ± 0.008°
β	102.91 ± 0.009°
γ	106.455 ± 0.008°
Cell volume	1866.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.1068
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180477 (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 7/21/46.	7214662.cif
110939	2014-04-20	cif/ Adding structures of 7214659, 7214660, 7214661, 7214662, 7214663 via cif-deposit CGI script.	7214662.cif