Crystallography Open Database

Information card for entry 7708023

Preview

Coordinates	7708023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Gd2 N4 O20 Ru2
Calculated formula	C40 H48 Gd2 N4 O20 Ru2
Title of publication	Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 "butterfly" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.
Authors of publication	Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	35
Pages of publication	12265 - 12274
a	8.082 ± 0.0016 Å
b	17.209 ± 0.003 Å
c	17.212 ± 0.003 Å
α	90°
β	92.35 ± 0.03°
γ	90°
Cell volume	2391.9 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269729 (current)	2021-10-06	cif/ Updating files of 7708021, 7708022, 7708023, 7708024, 7708025 Original log message: Adding full bibliography for 7708021--7708025.cif.	7708023.cif
268039	2021-08-12	cif/ Adding structures of 7708021, 7708022, 7708023, 7708024, 7708025 via cif-deposit CGI script.	7708023.cif