Crystallography Open Database

Information card for entry 7707991

Preview

Coordinates	7707991.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	lithium thiocyanate ditetrahydrofuranate
Formula	C9 H16 Li N O2 S
Calculated formula	C9 H16 Li N O2 S
Title of publication	Synthesis and characterisation of two lithium-thiocyanate solvates with tetrahydrofuran: Li[SCN]·THF and Li[SCN]·2THF.
Authors of publication	Conrad, Maurice; Joos, Markus; Bette, Sebastian; Dinnebier, Robert E.; Maier, Joachim; Schleid, Thomas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	35
Pages of publication	12292 - 12300
a	11.3273 ± 0.0006 Å
b	16.3798 ± 0.0009 Å
c	12.6486 ± 0.0007 Å
α	90°
β	94.393 ± 0.003°
γ	90°
Cell volume	2339.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0651
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269733 (current)	2021-10-06	cif/ Updating files of 7707990, 7707991 Original log message: Adding full bibliography for 7707990--7707991.cif.	7707991.cif
268013	2021-08-11	cif/ Adding structures of 7707990, 7707991 via cif-deposit CGI script.	7707991.cif