Crystallography Open Database

Information card for entry 1546249

Preview

Coordinates	1546249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H48 K2 O12 S6
Calculated formula	C26 H48 K2 O12 S6
SMILES	[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[S-]C(=S)SSC(=S)[S-]
Title of publication	Metathesis of a UV imido complex: a route to a terminal UV sulfide
Authors of publication	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella
Journal of publication	Chem. Sci.
Year of publication	2017
a	19.133 ± 0.002 Å
b	9.457 ± 0.0007 Å
c	22.775 ± 0.002 Å
α	90°
β	111.465 ± 0.012°
γ	90°
Cell volume	3835.1 ± 0.7 Å³
Cell temperature	100.02 ± 0.11 K
Ambient diffraction temperature	100.02 ± 0.11 K
Number of distinct elements	5
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	0.1504
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2432
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197542 (current)	2017-06-06	cif/ Adding structures of 1546246, 1546247, 1546248, 1546249, 1546250 via cif-deposit CGI script.	1546249.cif