Crystallography Open Database

Information card for entry 7247281

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Coordinates	7247281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 N2 Se2
Calculated formula	C8 H4 N2 Se2
Title of publication	Chalcogen bonding interactions in a series of aromatic selenocyanates
Authors of publication	Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	37
Pages of publication	5316 - 5323
a	11.563 ± 0.006 Å
b	17.139 ± 0.008 Å
c	4.8436 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	959.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2156
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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