Crystallography Open Database

Information card for entry 4111355

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Structure parameters

Formula	C14 H30 F6 O6 P2 S2
Calculated formula	C14 H30 F6 O6 P2 S2
SMILES	[P+]([P+](C)(C)C)(C(C)C)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
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	8.75 ± 0.003 Å
b	11.566 ± 0.004 Å
c	12.245 ± 0.005 Å
α	88.744 ± 0.006°
β	74.948 ± 0.004°
γ	76.431 ± 0.004°
Cell volume	1162.3 ± 0.7 Å³
Cell temperature	198 ± 1 K
Ambient diffraction temperature	198 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4111355.cif
178884	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.	4111355.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111355.cif
60880	2012-06-18	cif/ Adding structures of 4111355 via cif-deposit CGI script.	4111355.cif