Crystallography Open Database

Information card for entry 4113579

Preview

Coordinates	4113579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H68 I Li4 O8 Sr
Calculated formula	C34 H I Li4 O11 Sr
Title of publication	Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations
Authors of publication	Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	3593 - 3604
a	15.5078 ± 0.001 Å
b	15.5078 ± 0.001 Å
c	10.1836 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2449.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1008
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	0.816
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
178906 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/35.	4113579.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113579.cif
66844	2012-09-17	cif/ Adding structures of 4113579 via cif-deposit CGI script.	4113579.cif