Crystallography Open Database

Information card for entry 7125696

Preview

Coordinates	7125696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H58 Dy N5 O1.5 S4
Calculated formula	C39 H58 Dy N5 O1.5 S4
Title of publication	There is nothing wrong with being soft: using sulfur ligands to increase axiality in a Dy(iii) single-ion magnet.
Authors of publication	Canaj, Angelos B.; Dey, Sourav; Céspedes, Oscar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	10
Pages of publication	1533 - 1536
a	16.426 ± 0.0008 Å
b	14.4027 ± 0.0007 Å
c	20.5958 ± 0.0009 Å
α	90°
β	111.107 ± 0.002°
γ	90°
Cell volume	4545.6 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0267
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
248797 (current)	2020-03-05	cif/ Updating files of 7125696 Original log message: Adding full bibliography for 7125696.cif.	7125696.cif
246213	2019-12-27	cif/ Adding structures of 7125696 via cif-deposit CGI script.	7125696.cif