Crystallography Open Database

Information card for entry 1559867

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Coordinates	1559867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C256 H106 Dy2 N8 Ni2 S6 Sc2
Calculated formula	C256 H106 Dy2.0004 N8 Ni2 S6 Sc2.0004
Title of publication	High blocking temperatures for DyScS endohedral fullerene single-molecule magnets
Authors of publication	Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	48
Pages of publication	13129 - 13136
a	26.8856 ± 0.0018 Å
b	17.1624 ± 0.0011 Å
c	17.8103 ± 0.0012 Å
α	90°
β	106.578 ± 0.003°
γ	90°
Cell volume	7876.4 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1966
Residual factor for significantly intense reflections	0.1636
Weighted residual factors for significantly intense reflections	0.3708
Weighted residual factors for all reflections included in the refinement	0.3882
Goodness-of-fit parameter for all reflections included in the refinement	1.647
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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