Crystallography Open Database

Information card for entry 4078129

Preview

Coordinates	4078129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 N Na O7 Te
Calculated formula	C12 H22 N Na O7 Te
SMILES	[Te](=O)([O-])c1cccc2cccc(N(C)C)c12.O.O.[Na+].O.O.O
Title of publication	Depolymerization of Aryltellurinic Anhydrides with Sodium Hydroxide. Synthesis and Structure of the Hydrated Sodium Aryltellurinates [Na(H2O)4](RTeO2) (R = 4-MeOC6H4, 8-Me2NC10H6)
Authors of publication	Beckmann, Jens; Duthie, Andrew; Gesing, Thorsten M.; Koehne, Tim; Lork, Enno
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3451
a	8.631 ± 0.002 Å
b	10.273 ± 0.001 Å
c	19.562 ± 0.002 Å
α	83.3 ± 0.01°
β	89.68 ± 0.01°
γ	88.31 ± 0.01°
Cell volume	1721.9 ± 0.5 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	0.0791
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
183806 (current)	2016-06-20	cif/4-7: Fixing some wrong Z values.	4078129.cif
178670	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/81.	4078129.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078129.cif
57719	2012-05-18	cif/ Adding structures of 4078129 via cif-deposit CGI script.	4078129.cif