Crystallography Open Database

Information card for entry 7709226

Preview

Coordinates	7709226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H62 Dy0.14 O14 Y1.86
Calculated formula	C74 H62 Dy0.138 O14 Y1.862
Title of publication	A nonsymmetric Dy<sub>2</sub> single-molecule magnet with two relaxation processes triggered by an external magnetic field: a theoretical and integrated EPR study of the role of magnetic-site dilution.
Authors of publication	Lalioti, Nikolia; Nastopoulos, Vassilis; Panagiotou, Nikos; Tasiopoulos, Anastasios; Ioannidis, Nikolaos; van Slageren, Joris; Zhang, Peng; Rajaraman, Gopalan; Swain, Abinash; Tangoulis, Vassilis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1985 - 1994
a	11.1868 ± 0.0004 Å
b	16.0404 ± 0.0006 Å
c	18.662 ± 0.0006 Å
α	78.186 ± 0.003°
β	75.862 ± 0.003°
γ	72.605 ± 0.003°
Cell volume	3067.2 ± 0.2 Å³
Cell temperature	107.7 ± 0.6 K
Ambient diffraction temperature	107.7 ± 0.6 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272663 (current)	2022-02-04	cif/ Updating files of 7709225, 7709226 Original log message: Adding full bibliography for 7709225--7709226.cif.	7709226.cif
271818	2022-01-06	cif/ Adding structures of 7709225, 7709226 via cif-deposit CGI script.	7709226.cif