Crystallography Open Database

Information card for entry 1506392

Preview

Coordinates	1506392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 S2 Si
Calculated formula	C36 H24.5 S2 Si
Title of publication	Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole.
Authors of publication	Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
Journal of publication	The journal of physical chemistry. B
Year of publication	2005
Journal volume	109
Journal issue	36
Pages of publication	17086 - 17093
a	9.878 ± 0.002 Å
b	9.84 ± 0.002 Å
c	29.591 ± 0.006 Å
α	90°
β	90.29 ± 0.03°
γ	90°
Cell volume	2876.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.1267
Weighted residual factors for significantly intense reflections	0.2861
Weighted residual factors for all reflections included in the refinement	0.292
Goodness-of-fit parameter for all reflections included in the refinement	1.663
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
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.	1506392.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506392.cif
50280	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506392 via cif-deposit CGI script.	1506392.cif