Crystallography Open Database

Information card for entry 1550171

Preview

Coordinates	1550171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H75 Cu3 Zn4
Calculated formula	C50 H75 Cu3 Zn4
Title of publication	Embryonic brass: pseudo two electron Cu/Zn clusters.
Authors of publication	Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	48
Pages of publication	8906 - 8913
a	16.1793 ± 0.0014 Å
b	37.93 ± 0.003 Å
c	17.4798 ± 0.0015 Å
α	90°
β	105.636 ± 0.003°
γ	90°
Cell volume	10330 ± 1.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
228767 (current)	2019-11-17	cif/ Updating files of 1550170, 1550171 Original log message: Adding full bibliography for 1550170--1550171.cif.	1550171.cif
211753	2018-11-02	cif/ Adding structures of 1550170, 1550171 via cif-deposit CGI script.	1550171.cif