Crystallography Open Database

Information card for entry 4346554

Preview

Coordinates	4346554.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[DMPyr]2S6, 11
Chemical name	Bis(dimethylpyrrolidinium)-hexasulphide
Formula	C12 H28 N2 S6
Calculated formula	C12 H28 N2 S6
Title of publication	Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.
Authors of publication	Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	19
Pages of publication	9568 - 9575
a	13.9975 ± 0.001 Å
b	12.2771 ± 0.0009 Å
c	12.6705 ± 0.0008 Å
α	90°
β	115.568 ± 0.002°
γ	90°
Cell volume	1964.2 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
231834 (current)	2019-11-23	cif/ Adding structures of 4346552, 4346553, 4346554, 4346555, 4346556 via cif-deposit CGI script.	4346554.cif