Crystallography Open Database

Information card for entry 4080195

Preview

Coordinates	4080195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H149 Gd4 Li N4 O4 S9 Si8
Calculated formula	C58 H149 Gd4 Li N4 O4 S9 Si8
Title of publication	Single-Molecule Magnetism in Tetrametallic Terbium and Dysprosium Thiolate Cages
Authors of publication	Woodruff, Daniel N.; Tuna, Floriana; Bodensteiner, Michael; Winpenny, Richard E. P.; Layfield, Richard A.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1224
a	14.8584 ± 0.0005 Å
b	25.4645 ± 0.0008 Å
c	26.6088 ± 0.001 Å
α	90°
β	91.664 ± 0.003°
γ	90°
Cell volume	10063.5 ± 0.6 Å³
Cell temperature	102 ± 1 K
Ambient diffraction temperature	102 ± 1 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	0.143
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080195.cif
85874	2013-05-07	cif/ Adding structures of 4080195, 4080196, 4080197 via cif-deposit CGI script.	4080195.cif