Crystallography Open Database

Information card for entry 1558848

Preview

Coordinates	1558848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 F10 O S24 Ta2
Calculated formula	C30 H24 F10 O S24 Ta2
Title of publication	Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion
Authors of publication	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric
Journal of publication	Chemical Science
Year of publication	2020
a	12.615 ± 0.001 Å
b	11.984 ± 0.001 Å
c	16.747 ± 0.001 Å
α	90°
β	90.234 ± 0.009°
γ	90°
Cell volume	2531.8 ± 0.3 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/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.2169
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
255302 (current)	2020-08-14	cif/ Adding structures of 1558843, 1558844, 1558845, 1558846, 1558847, 1558848, 1558849 via cif-deposit CGI script.	1558848.cif