Crystallography Open Database

Information card for entry 1518083

Preview

Coordinates	1518083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H55 F6 N Sb Te2
Calculated formula	C51 H55 F6 N Sb Te2
Title of publication	Diaryldichalcogenide radical cations
Authors of publication	Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	497
a	19.854 ± 0.005 Å
b	14.726 ± 0.003 Å
c	17.178 ± 0.009 Å
α	90°
β	92.07 ± 0.04°
γ	90°
Cell volume	5019 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518083.cif
130979	2015-02-04	cif/ Updating files of 1518079, 1518080, 1518081, 1518082, 1518083, 1518084 Original log message: Adding full bibliography for 1518079--1518084.cif.	1518083.cif
125652	2014-10-22	cif/ Adding structures of 1518079, 1518080, 1518081, 1518082, 1518083, 1518084 via cif-deposit CGI script.	1518083.cif