Crystallography Open Database

Information card for entry 4120032

4120031 << 4120032 >> 4120033

Preview

Coordinates	4120032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H7 F18 Gd N3 O7 S2
Calculated formula	C23 H7 F18 Gd N3 O7 S2
Title of publication	Fine-Tuning the Single-Molecule Magnet Properties of a [Dy(III)-Radical]2 Pair
Authors of publication	Elisabeth M. Fatila; Mathieu Rouzières; Michael C. Jennings; Alan J. Lough; Rodolphe Clérac; Kathryn E. Preuss
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	9596 - 9599
a	14.7789 ± 0.0004 Å
b	28.565 ± 0.0007 Å
c	15.7335 ± 0.0004 Å
α	90°
β	90.177 ± 0.002°
γ	90°
Cell volume	6642 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0555
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
178977 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/00.	4120032.cif
104927	2014-03-11	cif/ Adding structures of 4120032 via cif-deposit CGI script.	4120032.cif