Crystallography Open Database

Information card for entry 1548188

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Coordinates	1548188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H83 P3 Y3
Calculated formula	C70 H83 P3 Y3
Title of publication	Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands
Authors of publication	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	7492
a	11.6328 ± 0.0004 Å
b	25.0914 ± 0.001 Å
c	21.5705 ± 0.0007 Å
α	90°
β	91.002 ± 0.003°
γ	90°
Cell volume	6295.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0937
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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