Crystallography Open Database

Information card for entry 4338249

Preview

Coordinates	4338249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 F3 O3 P S Sb
Calculated formula	C16 H19 F3 O3 P S Sb
SMILES	[Sb]1([P](C)(C)C)(c2ccccc2)(c2ccccc2)OS(=[O]1)(=O)C(F)(F)F
Title of publication	Prototypical Phosphine Complexes of Antimony(III).
Authors of publication	Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5359 - 5372
a	8.2553 ± 0.0002 Å
b	10.8326 ± 0.0003 Å
c	11.1367 ± 0.0003 Å
α	98.4361 ± 0.0003°
β	97.6027 ± 0.0003°
γ	93.1231 ± 0.0003°
Cell volume	973.7 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0162
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179485 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82.	4338249.cif
115684	2014-06-05	cif/ Updating files of 4338238, 4338239, 4338240, 4338241, 4338242, 4338243, 4338244, 4338245, 4338246, 4338247, 4338248, 4338249, 4338250, 4338251, 4338252 Original log message: Adding full bibliography for 4338238--4338252.cif.	4338249.cif
112029	2014-04-29	cif/ Adding structures of 4338249 via cif-deposit CGI script.	4338249.cif