Crystallography Open Database

Information card for entry 4000886

Preview

Coordinates	4000886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Co N9 S6
Calculated formula	C18 H36 Co N9 S6
SMILES	CN(C1=NC(N(C)C)=[S][Co]23(S1)([S]=C(N(C)C)N=C(N(C)C)S2)SC(=NC(N(C)C)=[S]3)N(C)C)C
Title of publication	Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors
Authors of publication	Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	17
Pages of publication	4919
a	14.872 ± 0.002 Å
b	13.832 ± 0.002 Å
c	13.4507 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2766.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	0.676
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000886.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000886.cif
36548	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000884, 4000885, 4000886, 4000887, 4000888 via cif-deposit CGI script.	4000886.cif