Crystallography Open Database

Information card for entry 7233510

Preview

Coordinates	7233510.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tris(2,6-dimethyl-3,5-heptanedionate) mono(bathophenanthroline)erbium(III)
Formula	C51 H61 Er N2 O6
Calculated formula	C51 H61 Er N2 O6
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	14.3822 ± 0.0004 Å
b	15.6172 ± 0.0005 Å
c	23.5197 ± 0.0006 Å
α	90°
β	105.38 ± 0.0014°
γ	90°
Cell volume	5093.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217780 (current)	2019-08-28	cif/ Adding structures of 7233510 via cif-deposit CGI script.	7233510.cif