Crystallography Open Database

Information card for entry 7109607

Preview

Coordinates	7109607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Br N4
Calculated formula	C29 H31 Br N4
SMILES	Brc1ccc(c2nc3c4ccc(nc4c4nc(ccc4c3n2CCCCCCCC)C)C)cc1
Title of publication	Copper(I) dye-sensitized solar cells with [Co(bpy)3]2+/3+ electrolyte
Authors of publication	Biljana Bozic-Weber; Edwin C. Constable; Sebastian O. Furer; Catherine E. Housecroft; Lukas J. Troxler; Jennifer A. Zampese
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	7222
a	7.6353 ± 0.0003 Å
b	10.3601 ± 0.0003 Å
c	17.3511 ± 0.0006 Å
α	92.597 ± 0.001°
β	100.655 ± 0.001°
γ	109.129 ± 0.001°
Cell volume	1266.06 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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