Crystallography Open Database

Information card for entry 7024946

Preview

Coordinates	7024946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 N6 S4 Zn
Calculated formula	C20 H40 N6 S4 Zn
SMILES	CCN(C1=NC(N(CC)CC)=[S][Zn]2(S1)[S]=C(N(CC)CC)N=C(N(CC)CC)S2)CC
Title of publication	Metal complexes of thiobiurets and dithiobiurets: Novel single source precursors for metal sulfide thin film nanostructures.
Authors of publication	Ramasamy, Karthik; Malik, Mohammad A.; O'Brien, Paul; Raftery, James
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1460 - 1463
a	9.092 ± 0.0008 Å
b	11.5052 ± 0.001 Å
c	26.955 ± 0.002 Å
α	90°
β	98.799 ± 0.002°
γ	90°
Cell volume	2786.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0686
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	0.743
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
179954 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/49.	7024946.cif
92758	2014-01-12	cif/ Adding structures of 7024946, 7024947, 7024948, 7024949, 7024950, 7024951 via cif-deposit CGI script.	7024946.cif