Crystallography Open Database

Information card for entry 7720025

7720024 << 7720025 >> 7720026

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Coordinates	7720025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H57 Dy2 N7 Ni2 O19
Calculated formula	C62 H57 Dy2 N7 Ni2 O19
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	14.3052 ± 0.001 Å
b	16.0611 ± 0.0013 Å
c	26.251 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6031.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.24
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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