Crystallography Open Database

Information card for entry 4310615

Preview

Coordinates	4310615.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10-[(9-methyl-1,10-phenanthrol-2-yl)methyl]-1,4,7,10- tetraazacyclododecane-1,4,7-triacetate-europium(iii) heptahydrate
Formula	C28 H33 Eu N6 O13
Calculated formula	C28 H33 Eu N6 O13
Title of publication	New Lanthanide Complexes for Sensitized Visible and Near-IR Light Emission: Synthesis,1H NMR, and X-ray Structural Investigation and Photophysical Properties
Authors of publication	Silvio Quici; Giovanni Marzanni; Alessandra Forni; Gianluca Accorsi; Francesco Barigelletti
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1294 - 1301
a	11.033 ± 0.002 Å
b	11.219 ± 0.002 Å
c	16.082 ± 0.003 Å
α	83.979 ± 0.01°
β	73.142 ± 0.01°
γ	62.458 ± 0.01°
Cell volume	1688.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179145 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/06.	4310615.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310615.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310615.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4310615.cif
2103	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310615 via cif-deposit CGI script.	4310615.cif