Crystallography Open Database

Information card for entry 1568406

Preview

Coordinates	1568406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 As Cl F11 N
Calculated formula	C5 As Cl F11 N
SMILES	[As](F)(F)(F)(F)([F-])F.Cl[n+]1c(F)c(F)c(F)c(F)c1F
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	6.2789 ± 0.0008 Å
b	21.884 ± 0.002 Å
c	7.7197 ± 0.0009 Å
α	90°
β	111.31 ± 0.004°
γ	90°
Cell volume	988.22 ± 0.19 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	5
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	0.0548
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	1568406.cif
280950	2023-02-20	cif/ Adding structures of 1568406, 1568407, 1568408, 1568409, 1568410, 1568411 via cif-deposit CGI script.	1568406.cif