Crystallography Open Database

Information card for entry 4324916

Preview

Coordinates	4324916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H134 Cl4 N12 O33 Pb2
Calculated formula	C76 H134 Cl4 N12 O33 Pb2
Title of publication	Macrocyclic Receptor Showing Extremely High Sr(II)/Ca(II) and Pb(II)/Ca(II) Selectivities with Potential Application in Chelation Treatment of Metal Intoxication
Authors of publication	Raquel Ferreirós-Martínez; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3772 - 3784
a	9.1268 ± 0.0004 Å
b	48.474 ± 0.002 Å
c	10.8772 ± 0.0004 Å
α	90°
β	96.307 ± 0.002°
γ	90°
Cell volume	4783.1 ± 0.3 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
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	0.056
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
179352 (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 4/32/49.	4324916.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324916.cif
43367	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324916 via cif-deposit CGI script.	4324916.cif