Crystallography Open Database

Information card for entry 1540562

Preview

Coordinates	1540562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H53 Dy N2 O P2 Si2
Calculated formula	C42 H53 Dy N2 O P2 Si2
Title of publication	A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
Authors of publication	Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	155
a	10.47242 ± 0.00008 Å
b	19.20658 ± 0.00014 Å
c	10.61743 ± 0.00009 Å
α	90°
β	94.0778 ± 0.0007°
γ	90°
Cell volume	2130.18 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175935 (current)	2016-02-05	cif/ Updating files of 1540562, 1540563, 1540564, 1540565, 1540566 Original log message: Adding full bibliography for 1540562--1540566.cif.	1540562.cif
170486	2015-11-24	cif/ Adding structures of 1540562, 1540563, 1540564, 1540565, 1540566 via cif-deposit CGI script.	1540562.cif