Crystallography Open Database

Information card for entry 1517104

Preview

Coordinates	1517104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H106 Fe4 N10 O23 Y2
Calculated formula	C56 H106 Fe4 N10 O23 Y2
Title of publication	Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.
Authors of publication	Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Beilstein journal of nanotechnology
Year of publication	2013
Journal volume	4
Pages of publication	807 - 814
a	19.1485 ± 0.0018 Å
b	16.4725 ± 0.001 Å
c	24.797 ± 0.002 Å
α	90°
β	101.162 ± 0.011°
γ	90°
Cell volume	7673.6 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0619
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
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.	1517104.cif
120240	2014-07-14	cif/ Adding structures of 1517104 via cif-deposit CGI script.	1517104.cif