Crystallography Open Database

Information card for entry 7212954

Preview

Coordinates	7212954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 Ag2 N3 S12 Se4
Calculated formula	C23 H16 Ag2 N3 S8 Se5.866
Title of publication	Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2
Authors of publication	Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc
Journal of publication	Journal of Materials Chemistry
Year of publication	1999
Journal volume	9
Journal issue	2
Pages of publication	387
a	15.157 ± 0.009 Å
b	8.7321 ± 0.0018 Å
c	13.507 ± 0.015 Å
α	90°
β	90.94 ± 0.03°
γ	90°
Cell volume	1787 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1592
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212954.cif
94901	2014-01-28	cif/ Adding structures of 7212954, 7212955 via cif-deposit CGI script.	7212954.cif