Crystallography Open Database

Information card for entry 4000887

Preview

Coordinates	4000887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 Co N9 S6
Calculated formula	C30 H60 Co N9 S6
SMILES	C(C)N(CC)C1=NC(N(CC)CC)=[S][Co]23(S1)([S]=C(N(CC)CC)N=C(N(CC)CC)S2)SC(=NC(N(CC)CC)=[S]3)N(CC)CC
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	9.5808 ± 0.0008 Å
b	42.691 ± 0.004 Å
c	9.6376 ± 0.0008 Å
α	90°
β	97.435 ± 0.002°
γ	90°
Cell volume	3908.8 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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.	4000887.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000887.cif
36548	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000884, 4000885, 4000886, 4000887, 4000888 via cif-deposit CGI script.	4000887.cif