Crystallography Open Database

Information card for entry 4104267

Preview

Coordinates	4104267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H68 Cl3 N6 O21 Yb
Calculated formula	C38 H68 Cl3 N6 O21 Yb
Title of publication	Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides
Authors of publication	Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3331 - 3341
a	14.8493 ± 0.0008 Å
b	22.4655 ± 0.0009 Å
c	14.9641 ± 0.0008 Å
α	90°
β	93.825 ± 0.002°
γ	90°
Cell volume	4980.9 ± 0.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178788 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/42.	4104267.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104267.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104267.cif
28790	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 4104267 via cif-deposit CGI script.	4104267.cif