Crystallography Open Database

Information card for entry 1559866

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Coordinates	1559866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H56 Cl0 Dy N4 Ni O0 S Sc
Calculated formula	C130 H56 Dy N4 Ni S Sc
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	19.994 ± 0.008 Å
b	15.029 ± 0.006 Å
c	25.36 ± 0.006 Å
α	90°
β	94.394 ± 0.01°
γ	90°
Cell volume	7598 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.2615
Residual factor for significantly intense reflections	0.1637
Weighted residual factors for significantly intense reflections	0.3514
Weighted residual factors for all reflections included in the refinement	0.3659
Goodness-of-fit parameter for all reflections included in the refinement	1.488
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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