Crystallography Open Database

Information card for entry 7044353

Preview

Coordinates	7044353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 Co Dy N12 O15
Calculated formula	C21 H30 Co Dy N12 O15
SMILES	c1cccc2C(=[N]3[Co]456([n]12)[n]1ccccc1C(=[N]5O[Dy]125(O3)(O[N]6=C(c3cccc[n]43)N)([O]=N(=O)O1)([O]=N(=O)O2)[O]=N(=O)O5)N)N.OC.CO.CO
Title of publication	“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes
Authors of publication	Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe
Journal of publication	Dalton Trans.
Year of publication	2017
a	16.5137 ± 0.0001 Å
b	16.5137 ± 0.0001 Å
c	20.9946 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	4958.23 ± 0.13 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201490 (current)	2017-09-29	cif/ Adding structures of 7044350, 7044351, 7044352, 7044353 via cif-deposit CGI script.	7044353.cif