Crystallography Open Database

Information card for entry 4115946

Preview

Coordinates	4115946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O4 Se2
Calculated formula	C16 H14 O4 Se2
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	8.2734 ± 0.0007 Å
b	26.44 ± 0.003 Å
c	8.1081 ± 0.0006 Å
α	92.194 ± 0.009°
β	115.366 ± 0.006°
γ	85.14 ± 0.009°
Cell volume	1596.9 ± 0.3 Å³
Cell temperature	193.2 K
Ambient diffraction temperature	193.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0332
Weighted residual factors for all reflections included in the refinement	0.0331
Goodness-of-fit parameter for all reflections included in the refinement	1.377
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.	4115946.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115946.cif
70510	2012-12-26	cif/ Adding structures of 4115946 via cif-deposit CGI script.	4115946.cif