Crystallography Open Database

Information card for entry 4346556

Preview

Coordinates	4346556.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[DMPyr]4Te12
Chemical name	Tetra(dimethylpyrrolidinium)-dodecatelluride
Formula	C24 H56 N4 Te12
Calculated formula	C24 H56 N4 Te12
SMILES	C1CCC[N+]1(C)C.C1CCC[N+]1(C)C.[Te]1[Te][Te]2[Te][Te][Te]2[Te][Te][Te]2[Te][Te][Te]12.C1CCC[N+]1(C)C.C1CCC[N+]1(C)C
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	9.5497 ± 0.0007 Å
b	18.7183 ± 0.0014 Å
c	13.2276 ± 0.001 Å
α	90°
β	107.817 ± 0.002°
γ	90°
Cell volume	2251.1 ± 0.3 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	0.03
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.291
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
231834 (current)	2019-11-23	cif/ Adding structures of 4346552, 4346553, 4346554, 4346555, 4346556 via cif-deposit CGI script.	4346556.cif