Crystallography Open Database

Information card for entry 4328417

Preview

Coordinates	4328417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 F6 N6 O5 P Yb
Calculated formula	C22 H30 F6 N6 O5 P Yb
Title of publication	Lanthanide(III) Complexes with Ligands Derived from a Cyclen Framework Containing Pyridinecarboxylate Pendants. The Effect of Steric Hindrance on the Hydration Number
Authors of publication	Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Marianna Fekete; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2509 - 2521
a	9.5249 ± 0.0003 Å
b	13.4108 ± 0.0005 Å
c	20.503 ± 0.0007 Å
α	90°
β	96.225 ± 0.002°
γ	90°
Cell volume	2603.54 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0355
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation probe	x-ray
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328417.cif
77383	2013-03-26	cif/ Adding structures of 4328417 via cif-deposit CGI script.	4328417.cif