Crystallography Open Database

Information card for entry 8000462

Preview

Coordinates	8000462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H68 F24 N6 O20 P4
Calculated formula	C72 H52 F24 N6 O20 P4
Title of publication	Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.
Authors of publication	Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	9282 - 9288
a	6.6837 ± 0.0003 Å
b	21.6852 ± 0.0009 Å
c	27.8092 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4030.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	48
Hermann-Mauguin space group symbol	P n n n :2
Hall space group symbol	-P 2ab 2bc
Residual factor for all reflections	0.1648
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2477
Weighted residual factors for all reflections included in the refinement	0.3098
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8000462.html