Crystallography Open Database

Information card for entry 1564806

Preview

Coordinates	1564806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Dy2 N6 O18
Calculated formula	C40 H32 Dy2 N6 O18
SMILES	C1c2cccc3c2[O]2[Dy]45678([N]=1NC(=[O]4)c1occc1)(ON(=[O]5)=O)[O]=C(O[Dy]1452([O]3C)([N](=Cc2cccc(c2[O]61)[O]7C)NC(=[O]4)c1occc1)(ON(=[O]5)=O)[O]=C(O8)c1ccccc1)c1ccccc1
Title of publication	Exchange-Bias Quantum Tunneling of the Magnetization in a Dysprosium Dimer.
Authors of publication	Dolai, Malay; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Ali, Mahammad; Ghosh, Ashutosh
Journal of publication	The journal of physical chemistry. A
Year of publication	2021
Journal volume	125
Journal issue	37
Pages of publication	8230 - 8237
a	10.5497 ± 0.0014 Å
b	17.112 ± 0.002 Å
c	12.0241 ± 0.0016 Å
α	90°
β	100.401 ± 0.006°
γ	90°
Cell volume	2135 ± 0.5 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
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	0.0794
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269525 (current)	2021-10-04	cif/ Adding structures of 1564806 via cif-deposit CGI script.	1564806.cif