Crystallography Open Database

Information card for entry 7044351

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Coordinates	7044351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 Co Dy N9 O12
Calculated formula	C36 H27 Co Dy N9 O12
SMILES	c1cccc2C(=[N]3[Co]456([n]12)[n]1ccccc1C(c1ccccc1)=[N]5O[Dy]125(O3)([O]=N(=O)O1)(O[N]6=C(c1cccc[n]41)c1ccccc1)([O]=N(=O)O2)[O]=N(=O)O5)c1ccccc1
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	11.2364 ± 0.0002 Å
b	11.2364 ± 0.0002 Å
c	55.6273 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	6082.37 ± 0.19 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7044351.cif