Crystallography Open Database

Information card for entry 7054200

Preview

Coordinates	7054200.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Pd2Hg4Cl6(Te(2,6-OCH3)2C6H3)6].2DMF
Formula	C27 H34 Cl3 Hg2 N O7 Pd Te3
Calculated formula	C27 H34 Cl3 Hg2 N O7 Pd Te3
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	10.5718 ± 0.0004 Å
b	11.4215 ± 0.0005 Å
c	15.7806 ± 0.0007 Å
α	79.158 ± 0.002°
β	81.398 ± 0.002°
γ	80.819 ± 0.002°
Cell volume	1833.35 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	7054200.cif
114007	2014-05-20	cif/ Adding structures of 7054200, 7054201, 7054202 via cif-deposit CGI script.	7054200.cif