Crystallography Open Database

Information card for entry 7044226

Preview

Coordinates	7044226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H41 Co2 N16 O2
Calculated formula	C23 H41 Co2 N16 O2
SMILES	c12c3cc(cc1C=[N]1CC[N](CC)(CC)[Co]41(N=N#N)(N=N#N)[N]([Co]1([N](=C3)CC[N]1(CC)CC)(N=N#N)[O]24)=N#N)CC.CO
Title of publication	Syntheses, crystal structures and magnetic properties of two mixed-valence Co(III)Co(II) compounds derived from Schiff base ligands: Field supported single-ion-magnet behaviour with easy plane anisotropy
Authors of publication	Mandal, Shuvankar; Mondal, Suraj; Rajnak, Cyril; Titis, Jan; Boca, Roman; Mohanta, Sasankasekhar
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.6745 ± 0.0014 Å
b	13.701 ± 0.002 Å
c	26.368 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3133.8 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
200876 (current)	2017-09-14	cif/ Adding structures of 7044226, 7044227 via cif-deposit CGI script.	7044226.cif