Crystallography Open Database

Information card for entry 7118470

Preview

Coordinates	7118470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N8 O8 S Y
Calculated formula	C14 H13 N8 O8 S Y
Title of publication	Connecting mononuclear dysprosium single-molecule magnets to form dinuclear complexes via in situ ligand oxidation
Authors of publication	Yutronkie, Nathan J.; Kühne, Irina A; Korobkov, Ilia; Brusso, Jaclyn L.; Murugesu, Muralee
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2016
Journal volume	52
Journal issue	4
Pages of publication	677 - 680
a	9.347 ± 0.002 Å
b	10.531 ± 0.002 Å
c	11.323 ± 0.002 Å
α	69.422 ± 0.005°
β	77.684 ± 0.005°
γ	77.232 ± 0.005°
Cell volume	1006.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7118195
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209781 (current)	2018-08-16	cif/7/11/ Updating bibliography in entries 7118194-7118195, 7118469-7118470. Marking entries 7118469-7118470 as duplicates of entries 7118194-7118195.	7118470.cif
174537	2016-01-18	cif/ Adding structures of 7118469, 7118470 via cif-deposit CGI script.	7118470.cif