Crystallography Open Database

Information card for entry 4510139

Preview

Coordinates	4510139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 Cu4 I4 S2
Calculated formula	C8 H16 Cu4 I4 S2
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	11.7527 ± 0.0002 Å
b	11.8972 ± 0.0002 Å
c	13.3762 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1870.32 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4510139.cif
106355	2014-03-15	cif/ Adding structures of 4510139 via cif-deposit CGI script.	4510139.cif