Crystallography Open Database

Information card for entry 1512629

Preview

Coordinates	1512629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 N Se2
Calculated formula	C9 H13 N Se2
SMILES	[Se](c1nc([Se]C)cc(c1C)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	5.312 ± 0.0003 Å
b	16.3259 ± 0.0008 Å
c	12.3903 ± 0.0006 Å
α	90°
β	101.301 ± 0.002°
γ	90°
Cell volume	1053.69 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
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	0.046
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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