Crystallography Open Database

Information card for entry 2241493

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Structure parameters

Chemical name	<i>catena</i>-Poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ^2^<i>S</i>:<i>S</i>']
Formula	C4 H8 Br4 S2 Sn
Calculated formula	C4 H8 Br4 S2 Sn
SMILES	[Sn](Br)(Br)(Br)(Br)([S]1CC[S](CC1)[Sn](Br)(Br)(Br)Br)[S]1CCSCC1
Title of publication	Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-dithiane
Authors of publication	Reuter, Hans; Röwekamp-Krugley, Natalia; Imwalle, Marius; Keil, Simona; Reichelt, Martin
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m267 - m268
a	7.1033 ± 0.0004 Å
b	12.0526 ± 0.0008 Å
c	7.4032 ± 0.0005 Å
α	90°
β	112.144 ± 0.002°
γ	90°
Cell volume	587.06 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0356
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241493.cif 2241493.hkl
174744	2016-01-22	cif/ hkl/ Adding structures of 2241493 via cif-deposit CGI script.	2241493.cif 2241493.hkl