Crystallography Open Database

Information card for entry 1505766

Preview

Coordinates	1505766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H4 Cs Er F24 O8
Calculated formula	C20 H4 Cs Er F24 O8
SMILES	[Er]1234([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O4)C(F)(F)F)C(F)(F)F.[Cs+]
Title of publication	Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.
Authors of publication	Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.
Journal of publication	The journal of physical chemistry. B
Year of publication	2006
Journal volume	110
Journal issue	48
Pages of publication	24476 - 24479
a	8.534 ± 0.003 Å
b	21.189 ± 0.005 Å
c	17.251 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3119 ± 2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505766.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505766.cif
47715	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505766 via cif-deposit CGI script.	1505766.cif