Crystallography Open Database

Information card for entry 1574360

Preview

Coordinates	1574360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H52 Al As7.09 F38 O4 Ta2
Calculated formula	C42 H42 Al As7.0878 F36 O4 Ta2
Title of publication	Redox mediated dimerisation of a cyclo-As8 complex
Authors of publication	Riesinger, Christoph; Scheer, Manfred
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	20
Pages of publication	8807 - 8811
a	11.4386 ± 0.0002 Å
b	18.7072 ± 0.0004 Å
c	19.1356 ± 0.0005 Å
α	63.108 ± 0.002°
β	88.564 ± 0.002°
γ	76.688 ± 0.002°
Cell volume	3539.01 ± 0.15 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
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
300629 (current)	2025-07-06	cif/ Updating files of 1574358, 1574359, 1574360 Original log message: Adding full bibliography for 1574358--1574360.cif.	1574360.cif
299214	2025-04-09	cif/ Adding structures of 1574358, 1574359, 1574360 via cif-deposit CGI script.	1574360.cif