Crystallography Open Database

Information card for entry 4510142

Preview

Coordinates	4510142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cu4 I4 S4
Calculated formula	C16 H32 Cu4 I4 S4
Title of publication	Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System
Authors of publication	Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1449
a	9.5824 ± 0.0002 Å
b	34.9161 ± 0.0006 Å
c	17.9841 ± 0.0003 Å
α	90°
β	91.281 ± 0.001°
γ	90°
Cell volume	6015.62 ± 0.19 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510142.cif
106359	2014-03-15	cif/ Adding structures of 4510142 via cif-deposit CGI script.	4510142.cif