Crystallography Open Database

Information card for entry 1556271

Preview

Coordinates	1556271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.33 H0 F4 O6.67 S4 Zn0.67
Calculated formula	C37.3333 H26.6667 F4 O6.66667 S4 Zn0.666667
Title of publication	A straightforward zinc-catalysed reduction of sulfoxides to sulfides
Authors of publication	Enthaler, Stephan
Journal of publication	Catalysis Science & Technology
Year of publication	2011
Journal volume	1
Journal issue	1
Pages of publication	104
a	10.5817 ± 0.0004 Å
b	13.8939 ± 0.0005 Å
c	19.8576 ± 0.0008 Å
α	83.554 ± 0.003°
β	88.085 ± 0.003°
γ	73.117 ± 0.003°
Cell volume	2775.99 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1276
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	0.821
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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