Crystallography Open Database

Information card for entry 4311413

Preview

Coordinates	4311413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 I3 La N10
Calculated formula	C23 H26 I3 La N10
SMILES	[La]12345(I)(I)[N](Cc6[n]2ccnc6)(Cc2[n]3ccnc2)CCC[N]1(Cc1[n]4ccnc1)Cc1[n]5ccnc1.[I-]
Title of publication	Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands
Authors of publication	Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5147 - 5158
a	17.6347 ± 0.0011 Å
b	9.9451 ± 0.0006 Å
c	17.9814 ± 0.0011 Å
α	90°
β	110.997 ± 0.001°
γ	90°
Cell volume	2944.2 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.067
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
179153 (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 4/31/14.	4311413.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311413.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311413.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.	4311413.cif
2912	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311413 via cif-deposit CGI script.	4311413.cif