Crystallography Open Database

Information card for entry 7053791

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Coordinates	7053791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Br2 Cl4 Si2
Calculated formula	C56 H44 Br2 Cl3.992 Si2
Title of publication	Molecular engineering to improve the charge carrier balance in single-layer silole-based OLEDs
Authors of publication	Aubouy, Laurent; Huby, Nolwenn; Hirsch, Lionel; van der Lee, Arie; Gerbier, Philippe
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	6
Pages of publication	1290
a	13.8694 ± 0.0008 Å
b	14.3213 ± 0.0008 Å
c	26.3741 ± 0.0014 Å
α	90°
β	98.256 ± 0.004°
γ	90°
Cell volume	5184.3 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for all reflections	0.072
Weighted residual factors for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0383
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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