Crystallography Open Database

Information card for entry 1504363

Preview

Coordinates	1504363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H51 Cl3 N4 S8
Calculated formula	C55 H51 Cl3 N4 S8
SMILES	c1c(cc2ccc3cc(cnc3c2n1)c1ccc(c2c(c(c(c3ccc(s3)SC#N)s2)CCCC)CCCC)s1)c1ccc(c2c(c(c(c3ccc(s3)SC#N)s2)CCCC)CCCC)s1.C(Cl)(Cl)Cl
Title of publication	Effects of Metal−Ion Complexation for the Self-Assembled Nanocomposite Films Composed of Gold Nanoparticles and 3,8-Bis(terthiophenyl)phenanthroline-Based Dithiols Bridging 1 μm Gap Gold Electrodes: Morphology, Temperature Dependent Electronic Conduction, and Photoresponse
Authors of publication	Huang, Wei; Tanaka, Hirofumi; Ogawa, Takuji
Journal of publication	Journal of Physical Chemistry C
Year of publication	2008
Journal volume	112
Journal issue	30
Pages of publication	11513
a	13.388 ± 0.003 Å
b	13.833 ± 0.003 Å
c	16.353 ± 0.003 Å
α	80.08 ± 0.03°
β	80.02 ± 0.03°
γ	65.63 ± 0.03°
Cell volume	2699.7 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504363.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504363.cif
41987	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504363 via cif-deposit CGI script.	1504363.cif