Crystallography Open Database

Information card for entry 4338305

Preview

Coordinates	4338305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H48 Al4 F144 O16 S32
Calculated formula	C104 H48 Al4 F144 O16 S32
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	12.7865 ± 0.0018 Å
b	18.846 ± 0.003 Å
c	19.209 ± 0.003 Å
α	88.469 ± 0.0017°
β	78.073 ± 0.0016°
γ	87.409 ± 0.0016°
Cell volume	4523.6 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1296
Residual factor for significantly intense reflections	0.1003
Weighted residual factors for significantly intense reflections	0.2924
Weighted residual factors for all reflections included in the refinement	0.3286
Goodness-of-fit parameter for all reflections included in the refinement	1.362
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4338305.cif
115708	2014-06-05	cif/ Updating files of 4338304, 4338305, 4338306 Original log message: Adding full bibliography for 4338304--4338306.cif.	4338305.cif
112636	2014-05-03	cif/ Adding structures of 4338304, 4338305, 4338306 via cif-deposit CGI script.	4338305.cif