Crystallography Open Database

Information card for entry 7060031

Preview

Coordinates	7060031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 Cl14 F12 N2 S2 Sb2
Calculated formula	C37 H32 Cl14 F12 N2 S2 Sb2
Title of publication	A stable, highly oxidizing radical cation
Authors of publication	Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	42
Pages of publication	18138 - 18148
a	19.1219 ± 0.0005 Å
b	20.2953 ± 0.0005 Å
c	13.6777 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5308.1 ± 0.2 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
258905 (current)	2020-11-06	cif/ Updating files of 7060029, 7060030, 7060031, 7060032 Original log message: Adding full bibliography for 7060029--7060032.cif.	7060031.cif
258266	2020-10-09	cif/ Adding structures of 7060029, 7060030, 7060031, 7060032 via cif-deposit CGI script.	7060031.cif