Crystallography Open Database

Information card for entry 7224721

Preview

Coordinates	7224721.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Yb(MAA)3(phen)]
Formula	C27 H29 N2 O9 Yb
Calculated formula	C27 H29 N2 O9 Yb
SMILES	[Yb]1234([n]5cccc6ccc7ccc[n]1c7c56)(OC(=CC(=[O]2)C)OC)([O]=C(C=C(O3)OC)C)[O]=C(OC)C=C(O4)C
Title of publication	The conjugate base of methyl 3-oxobutanoate as antenna-ligand in visible-emitting photoluminescent lanthanide complexes
Authors of publication	Bortoluzzi, Marco; Reolon, Andrea; Castro, Jesús; Enrichi, Francesco; Albertin, Gabriele; Bragato, Carlo
Journal of publication	RSC Adv.
Year of publication	2016
a	13.1594 ± 0.0006 Å
b	16.6828 ± 0.0008 Å
c	16.7793 ± 0.0008 Å
α	88.5817 ± 0.0016°
β	72.2913 ± 0.0014°
γ	66.8382 ± 0.0014°
Cell volume	3207.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0385
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179727 (current)	2016-03-25	cif/ Adding structures of 7224720, 7224721 via cif-deposit CGI script.	7224721.cif