Crystallography Open Database

Information card for entry 7233198

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Coordinates	7233198.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(5-nitro-1,10-phenanthroline)erbium(III)
Formula	C36 H36 Er F9 N3 O8
Calculated formula	C36 H36 Er F9 N3 O8
Title of publication	Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices
Authors of publication	Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	2725 - 2734
a	14.2828 ± 0.0004 Å
b	16.986 ± 0.0005 Å
c	18.2384 ± 0.0005 Å
α	90°
β	109.558 ± 0.0011°
γ	90°
Cell volume	4169.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
217148 (current)	2019-07-18	cif/ Adding structures of 7233198 via cif-deposit CGI script.	7233198.cif