Crystallography Open Database

Information card for entry 7115367

Preview

Coordinates	7115367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H91 Cu4 N4 Zn4
Calculated formula	C57.488 H90.984 Cu4 N4 Zn4
Title of publication	Molecular brass: Cu4Zn4, a ligand protected superatom cluster
Authors of publication	Kerstin Freitag; Hung Banh; Christian Gemel; Rudiger W. Seidel; Samia Kahlal; Jean-Yves Saillard; Roland A. Fischer
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	8681
a	16.8803 ± 0.0005 Å
b	16.8803 ± 0.0005 Å
c	16.8803 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4809.9 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.1838
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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