Crystallography Open Database

Information card for entry 1508492

Preview

Coordinates	1508492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Au0.94 Cl1.88 N2 S6
Calculated formula	C12 H10 Au0.951 Cl1.902 N2 S6
Title of publication	Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)
Authors of publication	Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	3
Pages of publication	1283 - 1290
a	7.3066 ± 0.0001 Å
b	7.3066 ± 0.0001 Å
c	67.3719 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3596.74 ± 0.09 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	260 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176729 (current)	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.	1508492.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508492.cif
69340	2012-12-11	cif/ Adding structures of 1508491, 1508492 via cif-deposit CGI script.	1508492.cif