Crystallography Open Database

Information card for entry 7002140

Preview

Coordinates	7002140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 Cl3 La N5 O6
Calculated formula	C21 H25 Cl3 La N5 O6
SMILES	[La]1234([OH2])([OH2])([OH2])([OH2])(Cl)[O]=C(c5ccccc5)N[N]1=Cc1[n]2c(ccc1)C=[N]3NC(c1ccccc1)=[O]4.[Cl-].[Cl-]
Title of publication	1 : 1 vs. 2 : 1 coordination of pentadentate hydrazone-type ligands to lanthanide(iii) ions. Formation of cationic as well as dicationic complexes
Authors of publication	Albrecht, Markus; Yulia, Yeni; Exarchos, Anna; Nachev, Philipp; Fröhlich, Roland
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	36
Pages of publication	7421 - 7427
a	10.5637 ± 0.0001 Å
b	11.5476 ± 0.0001 Å
c	22.9725 ± 0.0003 Å
α	90°
β	99.088 ± 0.001°
γ	90°
Cell volume	2767.13 ± 0.05 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179719 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/21.	7002140.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002140.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002140.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002140.cif