Crystallography Open Database

Information card for entry 7034176

Preview

Coordinates	7034176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 Fe Li O13 S24
Calculated formula	C38 H30 Fe Li O13 S24
Title of publication	Radical-cation salts of BEDT-TTF with lithium tris(oxalato)metallate(iii).
Authors of publication	Martin, Lee; Engelkamp, Hendrik; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Horton, Peter; Hursthouse, Michael B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	13
Pages of publication	6219 - 6223
a	18.491 ± 0.011 Å
b	15.146 ± 0.009 Å
c	10.292 ± 0.006 Å
α	90°
β	93.363 ± 0.016°
γ	90°
Cell volume	2877 ± 3 Å³
Cell temperature	302 K
Ambient diffraction temperature	302 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	0.1887
Residual factor for significantly intense reflections	0.1197
Weighted residual factors for significantly intense reflections	0.269
Weighted residual factors for all reflections included in the refinement	0.3082
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7034176.html