Crystallography Open Database

Information card for entry 4327602

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Structure parameters

Formula	C21 H24 Eu N4 O10.5
Calculated formula	C21 H24 Eu N4 O10.5
Title of publication	Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency
Authors of publication	Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6737 - 6745
a	13.005 ± 0.0009 Å
b	15.5912 ± 0.0011 Å
c	23.5684 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4778.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0387
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4327602.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327602.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327602.cif
61424	2012-07-04	cif/ Adding structures of 4327602 via cif-deposit CGI script.	4327602.cif