Crystallography Open Database

Information card for entry 1561441

Preview

Coordinates	1561441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H90 Al6 Cu8
Calculated formula	C60 H90 Al6 Cu8
Title of publication	Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.
Authors of publication	Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	19
Pages of publication	6588 - 6599
a	19.603 ± 0.004 Å
b	17.296 ± 0.004 Å
c	12.944 ± 0.002 Å
α	90°
β	123.107 ± 0.007°
γ	90°
Cell volume	3676.2 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
265910 (current)	2021-06-05	cif/ Updating files of 1561441, 1561442, 1561443, 1561444 Original log message: Adding full bibliography for 1561441--1561444.cif.	1561441.cif
263537	2021-04-02	cif/ Adding structures of 1561441, 1561442, 1561443, 1561444 via cif-deposit CGI script.	1561441.cif