Crystallography Open Database

Information card for entry 4340681

Preview

Coordinates	4340681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H68 Cu3 Gd N9 O21.5
Calculated formula	C30.5 H68 Cu3 Gd N9 O21.5
Title of publication	Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets.
Authors of publication	Kettles, Fraser J.; Milway, Victoria A.; Tuna, Floriana; Valiente, Rafael; Thomas, Lynne H.; Wernsdorfer, Wolfgang; Ochsenbein, Stefan T.; Murrie, Mark
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	8970 - 8978
a	8.9333 ± 0.0002 Å
b	15.9959 ± 0.0004 Å
c	16.2969 ± 0.0003 Å
α	79.369 ± 0.001°
β	86.275 ± 0.001°
γ	82.513 ± 0.001°
Cell volume	2267.28 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	4340681.cif
122939	2014-09-06	cif/ Updating files of 4340681, 4340682, 4340683, 4340684 Original log message: Adding full bibliography for 4340681--4340684.cif.	4340681.cif
122000	2014-08-18	cif/ Adding structures of 4340681, 4340682, 4340683 via cif-deposit CGI script.	4340681.cif