Crystallography Open Database

Information card for entry 7033647

Preview

Coordinates	7033647.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Di-imidazolo-cerium-tri-imidazolate
Chemical name	{(mue-1,2)-tri-imidazolato-imidazolo- cerium(III)}-imidazole
Formula	C15 H17 Ce N10
Calculated formula	C15 H17 Ce N10
Title of publication	A blue luminescent MOF as a rapid turn-off/turn-on detector for H2O, O2 and CH2Cl2, MeCN: [Ce(Im)3ImH]·ImH.
Authors of publication	Meyer, L. V.; Schönfeld, F; Zurawski, A.; Mai, M.; Feldmann, C.; Müller-Buschbaum, K
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	9
Pages of publication	4070 - 4079
a	23.253 ± 0.005 Å
b	14.024 ± 0.003 Å
c	23.455 ± 0.005 Å
α	90°
β	107.68 ± 0.03°
γ	90°
Cell volume	7287 ± 3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
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	0.0529
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180042 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36.	7033647.cif
133424	2015-03-06	cif/ Updating files of 7033647 Original log message: Adding full bibliography for 7033647.cif.	7033647.cif
129683	2015-01-16	cif/ Adding structures of 7033647 via cif-deposit CGI script.	7033647.cif