Crystallography Open Database

Information card for entry 7714421

Preview

Coordinates	7714421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N3 O6 Yb
Calculated formula	C32 H28 N3 O6 Yb
SMILES	[Yb]1234(OC(=O)c5[n]3c3c(cc5)cccc3)([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[n]1cccc2ccc3ccc[n]4c3c12
Title of publication	Novel Stable Ytterbium Acetylacetonate-Quinaldinate Complexes as Single-Molecule Magnets and Surprisingly Efficient Luminophores
Authors of publication	Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Taydakov, Ilya V.; Metlin, Mikhail T.; Datskevitch, Nikolay; Buzoverov, Mikhail E.; Babeshkin, Konstantin Andreevich; Efimov, N. N.
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.1267 ± 0.0004 Å
b	12.577 ± 0.0005 Å
c	12.5907 ± 0.0005 Å
α	83.246 ± 0.001°
β	71.951 ± 0.001°
γ	67.482 ± 0.001°
Cell volume	1408.44 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
287480 (current)	2023-11-08	cif/ Adding structures of 7714420, 7714421, 7714422 via cif-deposit CGI script.	7714421.cif