Crystallography Open Database

Information card for entry 4109499

Preview

Coordinates	4109499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 F3 O3 P5 S
Calculated formula	C7 H18 F3 O3 P5 S
Title of publication	Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation
Authors of publication	C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7464 - 7474
a	11.5785 ± 0.0007 Å
b	12.1458 ± 0.0007 Å
c	24.5466 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3452 ± 0.3 Å³
Cell temperature	193 ± 1 K
Ambient diffraction temperature	193 ± 1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178840 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94.	4109499.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109499.cif
58276	2012-05-28	cif/ Adding structures of 4109499 via cif-deposit CGI script.	4109499.cif