Crystallography Open Database

Information card for entry 7060030

Preview

Coordinates	7060030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 Cl6 N S Sb
Calculated formula	C16 H17 Cl6 N S Sb
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	16.2737 ± 0.0004 Å
b	14.3408 ± 0.0003 Å
c	9.2087 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2149.11 ± 0.08 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0136
Residual factor for significantly intense reflections	0.0129
Weighted residual factors for significantly intense reflections	0.0319
Weighted residual factors for all reflections included in the refinement	0.0322
Goodness-of-fit parameter for all reflections included in the refinement	1.189
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
258905 (current)	2020-11-06	cif/ Updating files of 7060029, 7060030, 7060031, 7060032 Original log message: Adding full bibliography for 7060029--7060032.cif.	7060030.cif
258266	2020-10-09	cif/ Adding structures of 7060029, 7060030, 7060031, 7060032 via cif-deposit CGI script.	7060030.cif