Crystallography Open Database

Information card for entry 1550252

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Structure parameters

Chemical name	Tetrabutylammonium hydroselenide
Formula	C16 H37 N Se
Calculated formula	C16 H37 N Se
SMILES	[SeH-].[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe–) Anion
Authors of publication	Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.
Journal of publication	Chemical Science
Year of publication	2019
a	14.1628 ± 0.0005 Å
b	14.0547 ± 0.0005 Å
c	19.8443 ± 0.0007 Å
α	90°
β	110.832 ± 0.002°
γ	90°
Cell volume	3691.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0722
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1550252.cif
212048	2018-11-20	cif/ Adding structures of 1550252, 1550253, 1550254 via cif-deposit CGI script.	1550252.cif