Crystallography Open Database

Information card for entry 7200587

7200586 << 7200587 >> 7200588

Preview

Coordinates	7200587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H74 N2 Si2
Calculated formula	C64 H74 N2 Si2
Title of publication	Soluble n-type pentacene derivatives as novel acceptors for organic solar cells
Authors of publication	Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	19
Pages of publication	3049
a	16.6409 ± 0.0006 Å
b	17.5827 ± 0.0007 Å
c	18.8903 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5527.1 ± 0.4 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1571
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
180336 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/05.	7200587.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200587.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200587.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200587.cif