Crystallography Open Database

Information card for entry 7224720

Preview

Coordinates	7224720.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Tb(MAA)3(phen)]
Formula	C27 H29 N2 O9 Tb
Calculated formula	C27 H29 N2 O9 Tb
SMILES	[Tb]1234([n]5cccc6ccc7ccc[n]1c7c56)([O]=C(C=C(O2)OC)C)([O]=C(C=C(OC)O3)C)[O]=C(C=C(O4)OC)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	9.3684 ± 0.0002 Å
b	16.6936 ± 0.0003 Å
c	18.2672 ± 0.0004 Å
α	83.1135 ± 0.001°
β	88.7925 ± 0.001°
γ	87.0863 ± 0.0008°
Cell volume	2832.25 ± 0.1 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	0.0698
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7224720.cif