Crystallography Open Database

Information card for entry 4107188

Preview

Coordinates	4107188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu4 Na4 Sn7
Calculated formula	Cu4 Na4.08667 Sn7
SMILES	[Cu].[Sn].[Cu].[Sn].[Sn].[Sn].[Na].[Sn].[Sn].[Cu].[Cu].[Sn].[Na].[Na].[Na]
Title of publication	A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)
Authors of publication	Saskia Stegmaier; Thomas F. Fässler
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	19758 - 19768
a	16.6253 ± 0.0003 Å
b	16.6253 ± 0.0003 Å
c	16.6253 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4595.24 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	224
Hermann-Mauguin space group symbol	P n -3 m :2
Hall space group symbol	-P 4bc 2bc 3
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.643
Diffraction radiation probe	x-ray
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
289785 (current)	2024-02-12	Fixing a few Z values and formulae	4107188.cif
178817	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/71.	4107188.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107188.cif
54840	2012-04-30	cif/ Adding structures of 4107188 via cif-deposit CGI script.	4107188.cif