Crystallography Open Database

Information card for entry 7700204

Preview

Coordinates	7700204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 N2 S Si
Calculated formula	C8 H18 N2 S Si
Title of publication	Systematic study on anion-cation interactions via doubly ionic H-bonds in 1,3-dimethylimidazolium salts comprising chalcogenolate anions MMIm [ER] (E = S, Se; R = H, tBu, SiMe<sub>3</sub>).
Authors of publication	Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	29
Pages of publication	10971 - 10978
a	8.1442 ± 0.0016 Å
b	12.8 ± 0.003 Å
c	11.871 ± 0.002 Å
α	90°
β	106.35 ± 0.03°
γ	90°
Cell volume	1187.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0409
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223744 (current)	2019-11-07	cif/ Updating files of 7700203, 7700204 Original log message: Adding full bibliography for 7700203--7700204.cif.	7700204.cif
215770	2019-06-08	cif/ Adding structures of 7700203, 7700204 via cif-deposit CGI script.	7700204.cif