Crystallography Open Database

Information card for entry 7233509

Preview

Coordinates	7233509.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tris(2,6-dimethyl-3,5-heptanedionate) mono(2,2-bipyridine)erbium(III)
Formula	C37 H53 Er N2 O6
Calculated formula	C37 H53 Er N2 O6
SMILES	[Er]1234([O]=C(C(C)C)C=C(O1)C(C)C)(OC(=CC(=[O]2)C(C)C)C(C)C)([O]=C(C=C(O3)C(C)C)C(C)C)[n]1ccccc1c1[n]4cccc1
Title of publication	Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping
Authors of publication	P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	5701 - 5710
a	13.2245 ± 0.0003 Å
b	16.7752 ± 0.0004 Å
c	18.0529 ± 0.0004 Å
α	92.312 ± 0.001°
β	94.601 ± 0.001°
γ	92.751 ± 0.001°
Cell volume	3983.48 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0914
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
217779 (current)	2019-08-28	cif/ Adding structures of 7233509 via cif-deposit CGI script.	7233509.cif