Crystallography Open Database

Information card for entry 7700203

Preview

Coordinates	7700203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H10 N2 Se
Calculated formula	C5 H10 N2 Se
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	9.1327 ± 0.001 Å
b	7.809 ± 0.0005 Å
c	10.9949 ± 0.0012 Å
α	90°
β	101.428 ± 0.009°
γ	90°
Cell volume	768.58 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0563
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7700203.cif
215770	2019-06-08	cif/ Adding structures of 7700203, 7700204 via cif-deposit CGI script.	7700203.cif