Crystallography Open Database

Information card for entry 1557755

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Coordinates	1557755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H116 N6 Zn
Calculated formula	C136 H116 N6 Zn
Title of publication	Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group
Authors of publication	Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2020
a	38.495 ± 0.002 Å
b	7.8252 ± 0.0005 Å
c	36.789 ± 0.002 Å
α	90°
β	115.523 ± 0.004°
γ	90°
Cell volume	10000.5 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.1293
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2029
Weighted residual factors for all reflections included in the refinement	0.2257
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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