Crystallography Open Database

Information card for entry 4115945

Preview

Coordinates	4115945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O4 S2
Calculated formula	C16 H14 O4 S2
Title of publication	An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity
Authors of publication	Osamu Niyomura; Shinzi Kato; Satoshi Inagaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	2132 - 2133
a	21.786 ± 0.004 Å
b	15.756 ± 0.002 Å
c	8.818 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3026.9 ± 1.2 Å³
Cell temperature	193.2 K
Ambient diffraction temperature	193.2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115945.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115945.cif
70509	2012-12-26	cif/ Adding structures of 4115945 via cif-deposit CGI script.	4115945.cif