Crystallography Open Database

Information card for entry 4339808

Preview

Coordinates	4339808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H62 Cl6 Hg2 N4 S4
Calculated formula	C57 H62 Cl6 Hg2 N4 S4
Title of publication	Exploring the interaction of mercury(II) by N(2)S(2) and NS(3) anthracene-containing macrocyclic ligands: photophysical, analytical, and structural studies.
Authors of publication	Tamayo, Abel; Pedras, Bruno; Lodeiro, Carlos; Escriche, Lluis; Casabó, Jaume; Capelo, José Luis; Covelo, Berta; Kivekäs, Raikko; Sillanpää, Reijo
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7818 - 7826
a	10.1828 ± 0.0002 Å
b	17.5508 ± 0.0004 Å
c	18.1227 ± 0.0005 Å
α	113.443 ± 0.001°
β	99.491 ± 0.002°
γ	99.598 ± 0.001°
Cell volume	2832.55 ± 0.12 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	0.062
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339808.cif
117555	2014-06-15	cif/ Adding structures of 4339808 via cif-deposit CGI script.	4339808.cif