Crystallography Open Database

Information card for entry 1512628

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Coordinates	1512628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N2 Se2
Calculated formula	C14 H16 N2 Se2
SMILES	[Se]([Se]c1ncc(c(c1)C)C)c1ncc(c(c1)C)C
Title of publication	Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds
Authors of publication	Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	335 - 344
a	10.365 ± 0.0004 Å
b	6.6892 ± 0.0002 Å
c	21.1397 ± 0.0007 Å
α	90°
β	95.182 ± 0.002°
γ	90°
Cell volume	1459.7 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0404
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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