Crystallography Open Database

Information card for entry 7220223

7220222 << 7220223 >> 7220224

Preview

Coordinates	7220223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 I6.6 O2 S16
Calculated formula	C22 H20 I6.5954 O2 S16
Title of publication	A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies
Authors of publication	Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael
Journal of publication	RSC Adv.
Year of publication	2015
a	7.9246 ± 0.0004 Å
b	8.6449 ± 0.0004 Å
c	16.2901 ± 0.0008 Å
α	87.891 ± 0.002°
β	86.545 ± 0.002°
γ	76.982 ± 0.002°
Cell volume	1085.02 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0806
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7220223.cif
135768	2015-05-08	cif/ Adding structures of 7220220, 7220221, 7220222, 7220223, 7220224 via cif-deposit CGI script.	7220223.cif