Crystallography Open Database

Information card for entry 7041110

Preview

Coordinates	7041110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H207 Dy3 N6 O18
Calculated formula	C144 H207.003 Dy3 N6 O18
Title of publication	Magnetic frustration in a hexaazatrinaphthylene-bridged trimetallic dysprosium single-molecule magnet.
Authors of publication	Grindell, Richard; Vieru, Veacheslav; Pugh, Thomas; Chibotaru, Liviu F.; Layfield, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	16556 - 16560
a	30.2821 ± 0.0016 Å
b	13.7793 ± 0.0005 Å
c	34.9863 ± 0.0009 Å
α	90°
β	96.055 ± 0.003°
γ	90°
Cell volume	14517.2 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0962
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188001 (current)	2016-11-07	cif/ Adding structures of 7041110 via cif-deposit CGI script.	7041110.cif