Crystallography Open Database

Information card for entry 7108781

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Coordinates	7108781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H96 B2 F48 Gd2 N8 O
Calculated formula	C92 H96 B2 F48 Gd2 N8 O
Title of publication	A hydride-ligated dysprosium single-molecule magnet
Authors of publication	Ajay Venugopal; Floriana Tuna; Thomas P. Spaniol; Liviu Ungur; Liviu F. Chibotaru; Jun Okuda; Richard A. Layfield
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	9
Pages of publication	901 - 903
a	12.5003 ± 0.0011 Å
b	14.3637 ± 0.0012 Å
c	16.0369 ± 0.0014 Å
α	67.9589 ± 0.0014°
β	75.1829 ± 0.0014°
γ	83.3058 ± 0.0015°
Cell volume	2579.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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