Crystallography Open Database

Information card for entry 4309858

Preview

Coordinates	4309858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Hg N2 S2
Calculated formula	C4 H12 Hg N2 S2
SMILES	[Hg]12(SCC[NH2]1)SCC[NH2]2
Title of publication	Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand
Authors of publication	Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8087 - 8096
a	9.7018 ± 0.0002 Å
b	9.1374 ± 0.0002 Å
c	10.5649 ± 0.0002 Å
α	90°
β	111.562 ± 0.0014°
γ	90°
Cell volume	871.03 ± 0.03 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309858.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309858.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309858.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309858.cif