Crystallography Open Database

Information card for entry 7233926

Preview

Coordinates	7233926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H87 B Cr F24 N5 O2
Calculated formula	C86 H87 B Cr F24 N5 O2
Title of publication	Electron-transporting phenazinothiadiazoles with engineered microstructure
Authors of publication	Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	9609 - 9612
a	13.6274 ± 0.0004 Å
b	18.3852 ± 0.0006 Å
c	18.7086 ± 0.0006 Å
α	106.273 ± 0.004°
β	100.944 ± 0.004°
γ	96.639 ± 0.004°
Cell volume	4346.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
218416 (current)	2019-09-18	cif/ Adding structures of 7233926 via cif-deposit CGI script.	7233926.cif