Crystallography Open Database

Information card for entry 7226748

Preview

Structure parameters

Formula	C24 H20 Dy N8 Na O8
Calculated formula	C24 H20 Dy N8 Na O8
SMILES	C1(=O)c2ccc(c[n]2[Dy]234(O1)([n]1c(C(=O)O2)ccc(c1)N)([n]1c(C(=O)O3)ccc(c1)N)[n]1c(C(=O)O4)ccc(c1)N)N.[Na+]
Title of publication	Multifunctional applications of a dysprosium-based metal–organic chain with single-ion magnet behaviour
Authors of publication	Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	45
Pages of publication	8718
a	18.0441 ± 0.0008 Å
b	18.0441 ± 0.0008 Å
c	8.3135 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2706.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226748.cif
190083	2017-01-09	cif/ Updating files of 7226748 Original log message: Adding full bibliography for 7226748.cif.	7226748.cif
187219	2016-10-08	cif/ Adding structures of 7226748 via cif-deposit CGI script.	7226748.cif