Crystallography Open Database

Information card for entry 8102039

8102038 << 8102039 >> 8102040

Preview

Coordinates	8102039.cif

Structure parameters

Chemical name	bis(pyridin-2-yl)disulfide triiodide
Formula	C10 H9 I3 N2 S2
Calculated formula	C10 H9 I3 N2 S2
Title of publication	Crystal structure of bis(pyridin-2-yl)disulfide hydrotriiodide, [C~10~H~9~N~2~S~2~][I~3~]
Authors of publication	Chen, L.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	4
Pages of publication	443 - 444
a	16.4841 ± 0.0009 Å
b	9.6845 ± 0.0007 Å
c	13.0227 ± 0.0009 Å
α	90°
β	127.309 ± 0.002°
γ	90°
Cell volume	1653.55 ± 0.19 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (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 8.	8102039.cif
108008	2014-03-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102039.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102039.cif
12778	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8102039 via cif-deposit CGI script.	8102039.cif