Crystallography Open Database

Information card for entry 4508581

Preview

Coordinates	4508581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 O3 P S
Calculated formula	C29 H23 O3 P S
Title of publication	Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4
Authors of publication	Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	5135
a	12.234 ± 0.0003 Å
b	7.0165 ± 0.0002 Å
c	26.8821 ± 0.0006 Å
α	90°
β	98.35 ± 0.001°
γ	90°
Cell volume	2283.09 ± 0.1 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	0.0481
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508581.cif
91622	2013-12-13	cif/ Adding structures of 4508581, 4508582, 4508583, 4508584, 4508585, 4508586, 4508587, 4508588, 4508589, 4508590, 4508591 via cif-deposit CGI script.	4508581.cif