Crystallography Open Database

Information card for entry 7239254

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Coordinates	7239254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 Br2 N4 S4
Calculated formula	C10 H4 Br2 N4 S4
Title of publication	Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines
Authors of publication	Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	45
Pages of publication	23438
a	11.2343 ± 0.0001 Å
b	6.0495 ± 0.0001 Å
c	11.3801 ± 0.0001 Å
α	90°
β	106.943 ± 0.001°
γ	90°
Cell volume	739.843 ± 0.016 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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