Crystallography Open Database

Information card for entry 7108782

Preview

Coordinates	7108782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H106 B2 Dy2 F48 N8 O2
Calculated formula	C96 H106 B2 Dy2 F48 N8 O2
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	12.8156 ± 0.0008 Å
b	13.9466 ± 0.0008 Å
c	17.286 ± 0.001 Å
α	69.1184 ± 0.0008°
β	70.1955 ± 0.0009°
γ	80.8857 ± 0.0009°
Cell volume	2713.4 ± 0.3 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	0.0566
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7108782.html