Crystallography Open Database

Information card for entry 4111354

Preview

Coordinates	4111354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H24 F6 O6 P2 S2
Calculated formula	C11 H24 F6 O6 P2 S2
Title of publication	Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations
Authors of publication	Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7969 - 7976
a	15.765 ± 0.006 Å
b	11.994 ± 0.005 Å
c	24.584 ± 0.008 Å
α	90°
β	114.619 ± 0.005°
γ	90°
Cell volume	4226 ± 3 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
178884 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/13.	4111354.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111354.cif
60879	2012-06-18	cif/ Adding structures of 4111354 via cif-deposit CGI script.	4111354.cif