Crystallography Open Database

Information card for entry 7221667

Preview

Coordinates	7221667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H26 Er F9 N4 O6
Calculated formula	C44 H26 Er F9 N4 O6
SMILES	C1(=CC(C(F)(F)F)=[O][Er]234([n]5cccc6c5c5c(ccc[n]25)c2c6nccn2)(O1)(OC(=CC(c1ccccc1)=[O]3)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]4)c1ccccc1)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	21.392 ± 0.005 Å
b	10.941 ± 0.005 Å
c	18.213 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	4263 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7221667.cif