Crystallography Open Database

Information card for entry 4309856

Preview

Coordinates	4309856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 N2 S2 Zn
Calculated formula	C4 H12 N2 S2 Zn
SMILES	C1C[NH2][Zn]2(S1)[NH2]CCS2
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	18.2166 ± 0.0015 Å
b	4.9242 ± 0.0003 Å
c	10.0513 ± 0.0008 Å
α	90°
β	105.647 ± 0.004°
γ	90°
Cell volume	868.21 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4309856.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309856.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309856.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).	4309856.cif