Crystallography Open Database

Information card for entry 7018952

Preview

Coordinates	7018952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cs3 Eu N6 O19
Calculated formula	C18 H18 Cs3 Eu N6 O19
SMILES	[n]12[Eu]34567([n]8c(cncc8C(=O)O3)C(=O)O5)([n]3c(cncc3C(=O)O4)C(=O)O6)OC(=O)c1cncc2C(=O)O7.O.O.O.[Cs+].[Cs+].O.O.O.O.[Cs+]
Title of publication	A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates.
Authors of publication	Moore, Evan G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5272 - 5279
a	10.4302 ± 0.0002 Å
b	10.4302 ± 0.0002 Å
c	55.1896 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	5199.64 ± 0.19 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 1 K
Number of distinct elements	6
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2081
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	1.311
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7018952.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018952.cif
56005	2012-05-08	cif/ Adding structures of 7018952 via cif-deposit CGI script.	7018952.cif