Crystallography Open Database

Information card for entry 4117289

Preview

Coordinates	4117289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73.4 H149.6 Bi7.6 K4 La N9.4 O24 Sn6.1
Calculated formula	C73.4 H146.8 Bi7.6 K4 La N9.4 O24 Sn6.1
Title of publication	Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties
Authors of publication	Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1181 - 1191
a	28.476 ± 0.006 Å
b	16.345 ± 0.003 Å
c	29.076 ± 0.006 Å
α	90°
β	117.13 ± 0.03°
γ	90°
Cell volume	12044 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2225
Weighted residual factors for all reflections included in the refinement	0.2537
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117289.cif
74358	2013-02-26	cif/ Adding structures of 4117289 via cif-deposit CGI script.	4117289.cif