Crystallography Open Database

Information card for entry 4500789

Preview

Coordinates	4500789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C139 H139 Cl2 N25 Nd4 O40
Calculated formula	C139 H139 Cl2 N25 Nd4 O40
Title of publication	Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand
Authors of publication	Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	8
Pages of publication	3479
a	15.604 ± 0.003 Å
b	11.804 ± 0.002 Å
c	42.692 ± 0.009 Å
α	90°
β	92.43 ± 0.03°
γ	90°
Cell volume	7856 ± 3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1125
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.1924
Weighted residual factors for all reflections included in the refinement	0.2135
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
179538 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/07.	4500789.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500789.cif
34635	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500789, 4500790, 4500791, 4500792, 4500793, 4500794 via cif-deposit CGI script.	4500789.cif