Crystallography Open Database

Information card for entry 1514423

Preview

Coordinates	1514423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 Cl16 Dy2 N8 O74 Si2 W20
Calculated formula	C136 Cl16 Dy2 N8 O74 Si2 W20
Title of publication	Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates
Authors of publication	Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	2
Pages of publication	596
a	15.3062 ± 0.0001 Å
b	47.6192 ± 0.0003 Å
c	15.6327 ± 0.0001 Å
α	90°
β	108.576 ± 0.0003°
γ	90°
Cell volume	10800.6 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKY=a
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514423.cif
110127	2014-04-18	cif/ Adding structures of 1514423, 1514424 via cif-deposit CGI script.	1514423.cif