Crystallography Open Database

Information card for entry 4343625

Preview

Coordinates	4343625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H8 Au N4 S16
Calculated formula	C28 H8 Au N4 S16
Title of publication	Dithiophene-TTF Salts; New Ladder Structures and Spin-Ladder Behavior.
Authors of publication	Silva, Rafaela A. L.; Santos, Isabel C.; Wright, Jonathan; Coutinho, Joana T.; Pereira, Laura C. J.; Lopes, Elsa B.; Rabaça, Sandra; Vidal-Gancedo, José; Rovira, Concepció; Almeida, Manuel; Belo, Dulce
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	7000 - 7006
a	17.1678 ± 0.0009 Å
b	3.8756 ± 0.0002 Å
c	26.0522 ± 0.0011 Å
α	90°
β	100.208 ± 0.002°
γ	90°
Cell volume	1705.96 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0494
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343625.cif
152817	2015-08-05	cif/ Updating files of 4343624, 4343625, 4343626 Original log message: Adding full bibliography for 4343624--4343626.cif.	4343625.cif
141502	2015-07-10	cif/ Adding structures of 4343625 via cif-deposit CGI script.	4343625.cif