Crystallography Open Database

Information card for entry 4338306

Preview

Coordinates	4338306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H6 Al F36 O4 S4
Calculated formula	C21 H6 Al F36 O4 S4
Title of publication	Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion.
Authors of publication	Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5321 - 5327
a	19.443 ± 0.002 Å
b	17.8404 ± 0.0019 Å
c	21.047 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7300.6 ± 1.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179486 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/83.	4338306.cif
115708	2014-06-05	cif/ Updating files of 4338304, 4338305, 4338306 Original log message: Adding full bibliography for 4338304--4338306.cif.	4338306.cif
112636	2014-05-03	cif/ Adding structures of 4338304, 4338305, 4338306 via cif-deposit CGI script.	4338306.cif