Crystallography Open Database

Information card for entry 1568411

Preview

Coordinates	1568411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As Cl2 F7
Calculated formula	As Cl2 F7
SMILES	[As](F)(F)(F)(F)(F)[F-].[Cl+](Cl)F
Title of publication	On pyridine chloronium cations
Authors of publication	Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2325 - 2329
a	5.3882 ± 0.0007 Å
b	15.2962 ± 0.0017 Å
c	7.9427 ± 0.001 Å
α	90°
β	105.459 ± 0.004°
γ	90°
Cell volume	630.95 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
281384 (current)	2023-03-04	cif/ Updating files of 1568406, 1568407, 1568408, 1568409, 1568410, 1568411 Original log message: Adding full bibliography for 1568406--1568411.cif.	1568411.cif
280950	2023-02-20	cif/ Adding structures of 1568406, 1568407, 1568408, 1568409, 1568410, 1568411 via cif-deposit CGI script.	1568411.cif