Crystallography Open Database

Information card for entry 1508382

Preview

Coordinates	1508382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Br0.79 Cl1.21 Cu S16
Calculated formula	C20 H16 Br0.794 Cl1.206 Cu S16
Title of publication	New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6
Authors of publication	Kubo, Kazuya; Yamashita, Masahiro
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	284 - 293
a	7.8124 ± 0.0014 Å
b	6.6564 ± 0.0011 Å
c	30.444 ± 0.006 Å
α	90°
β	96.062 ± 0.002°
γ	90°
Cell volume	1574.3 ± 0.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
210192 (current)	2018-08-28	cif/1/50/83/ Updating bibliography in entry 1508382.	1508382.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508382.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508382.cif
68923	2012-11-25	cif/ Adding structures of 1508382 via cif-deposit CGI script.	1508382.cif