Crystallography Open Database

Information card for entry 1575968

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Coordinates	1575968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H64 Dy2 N4
Calculated formula	C46 H64 Dy2 N4
Title of publication	A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.
Authors of publication	Benner, Florian; Deshapriya, Saroshan; Demir, Selvan
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	44
Pages of publication	20806 - 20822
a	12.4604 ± 0.0001 Å
b	11.5578 ± 0.0001 Å
c	15.4703 ± 0.0001 Å
α	90°
β	107.615 ± 0.001°
γ	90°
Cell volume	2123.49 ± 0.03 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
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	0.0288
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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