Crystallography Open Database

Information card for entry 7720029

7720028 << 7720029 >> 7720030

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Coordinates	7720029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 Dy2 N4 Ni2 O16
Calculated formula	C70 H70 Dy2 N4 Ni2 O16
Title of publication	Magneto-structural and theoretical insights into Ni2Dy2 butterfly single-molecule magnets with diverse anionic co-ligands
Authors of publication	Panja, Anangamohan; Jaglicic, Zvonko; Aravena, Daniel; Jana, Narayan Ch.; Brandão, Paula
Journal of publication	Dalton Transactions
Year of publication	2026
a	11.1635 ± 0.0003 Å
b	12.2232 ± 0.0003 Å
c	13.2329 ± 0.0004 Å
α	107.887 ± 0.002°
β	106.295 ± 0.002°
γ	97.049 ± 0.002°
Cell volume	1605.66 ± 0.08 Å³
Cell temperature	100.02 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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