Crystallography Open Database

Information card for entry 7236567

Preview

Coordinates	7236567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H25 N5
Calculated formula	C34 H25 N5
Title of publication	Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells
Authors of publication	Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	21
Pages of publication	10696
a	9.0354 ± 0.0004 Å
b	11.8886 ± 0.0005 Å
c	13.4146 ± 0.0006 Å
α	102.045 ± 0.003°
β	108.397 ± 0.003°
γ	99.521 ± 0.003°
Cell volume	1295.03 ± 0.11 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation probe	x-ray
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
236312 (current)	2019-11-24	cif/ Adding structures of 7236566, 7236567, 7236568, 7236569 via cif-deposit CGI script.	7236567.cif