Crystallography Open Database

Information card for entry 4000727

Preview

Coordinates	4000727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H56 N6 O2 S2 Zn
Calculated formula	C28 H56 N6 O2 S2 Zn
SMILES	CC(N(C1=[S][Zn]2([S]=C(N=C(O2)N(C(C)C)C(C)C)N(C(C)C)C(C)C)OC(=N1)N(C(C)C)C(C)C)C(C)C)C
Title of publication	Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films
Authors of publication	Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	6
Pages of publication	1471
a	11.6199 ± 0.0013 Å
b	13.397 ± 0.0015 Å
c	11.6558 ± 0.0013 Å
α	90°
β	104.163 ± 0.002°
γ	90°
Cell volume	1759.3 ± 0.3 Å³
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.073
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4000727.cif
114053	2014-05-21	cif/ Updating files of 4000725, 4000726, 4000727 Original log message: Adding full bibliography for 4000725--4000727.cif.	4000727.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000727.cif
34919	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000727 via cif-deposit CGI script.	4000727.cif