Crystallography Open Database

Information card for entry 7221666

Preview

Coordinates	7221666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 Er F9 N2 O6
Calculated formula	C42 H26 Er F9 N2 O6
SMILES	c1ccccc1C1=CC(C(F)(F)F)=[O][Er]234([n]5c6c(ccc7c6[n]2ccc7)ccc5)(OC(=CC(C(F)(F)F)=[O]3)c2ccccc2)(O1)OC(=CC(C(F)(F)F)=[O]4)c1ccccc1
Title of publication	NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes
Authors of publication	Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming
Journal of publication	RSC Adv.
Year of publication	2015
a	10.009 ± 0.005 Å
b	13.987 ± 0.005 Å
c	14.769 ± 0.005 Å
α	82.932 ± 0.005°
β	87.086 ± 0.005°
γ	76.531 ± 0.005°
Cell volume	1994.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
152580 (current)	2015-07-28	cif/ Adding structures of 7221664, 7221665, 7221666, 7221667, 7221668 via cif-deposit CGI script.	7221666.cif