Crystallography Open Database

Information card for entry 7054202

Preview

Coordinates	7054202.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Hg4Cl4(Te(2,6-OCH3)2C6H3)4]
Formula	C16 H18 Cl2 Hg2 O4 Te2
Calculated formula	C16 H18 Cl2 Hg2 O4 Te2
Title of publication	Synthesis, crystal structure, and optical characteristics of [Pd2Hg4Cl6{Te(DMB)}6]·2DMF, [HgClTe(DMB)]4, and the ring-forming cluster [Pd12(TePh)24]·2DMF
Authors of publication	Tirloni, Barbara; Lang, Ernesto Schulz; de Oliveira, Gelson Manzoni; Piquini, Paulo; Hörner, Manfredo
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	6
Pages of publication	2394
a	13.6219 ± 0.0001 Å
b	12.3303 ± 0.0001 Å
c	14.266 ± 0.0001 Å
α	90°
β	114.291 ± 0.001°
γ	90°
Cell volume	2184.01 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0385
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180096 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42.	7054202.cif
114007	2014-05-20	cif/ Adding structures of 7054200, 7054201, 7054202 via cif-deposit CGI script.	7054202.cif