Crystallography Open Database

Information card for entry 4112296

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Structure parameters

Formula	C8 H10 N4 Se2
Calculated formula	C8 H10 N4 Se2
SMILES	c1(nccn1C)[Se][Se]c1nccn1C
Title of publication	Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis
Authors of publication	Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2712 - 2713
a	12.618 ± 0.007 Å
b	7.536 ± 0.004 Å
c	11.418 ± 0.006 Å
α	90°
β	97.446 ± 0.009°
γ	90°
Cell volume	1076.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0387
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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