Crystallography Open Database

Information card for entry 4303648

Preview

Coordinates	4303648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33.65 N6 O7.83 Zn
Calculated formula	C28 H33.652 N6 O7.826 Zn
Title of publication	Selective Chelation of Cd(II) and Pb(II) versus Ca(II) and Zn(II) by Using Octadentate Ligands Containing Pyridinecarboxylate and Pyridyl Pendants
Authors of publication	Raquel Ferreirós-Martínez; David Esteban-Gómez; Carlos Platas-Iglesias; Andrés de Blas; Teresa Rodríguez-Blas
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10976 - 10987
a	10.791 ± 0.0006 Å
b	11.8384 ± 0.0007 Å
c	12.6031 ± 0.0007 Å
α	103.007 ± 0.001°
β	94.263 ± 0.001°
γ	109.66 ± 0.001°
Cell volume	1457.38 ± 0.14 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0371
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179074 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/36.	4303648.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303648.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303648.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303648.cif