Crystallography Open Database

Information card for entry 4503417

Preview

Coordinates	4503417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 N5 O13 Tb
Calculated formula	C18 H28 N5 O13 Tb
Title of publication	Syntheses, Structures, Near-Infrared, and Visible Luminescence of Lanthanide-Organic Frameworks with Flexible Macrocyclic Polyamine Ligands
Authors of publication	Zhu, Xiandong; Lü, Jian; Li, Xiaoju; Gao, Shuiying; Li, Guoliang; Xiao, Fuxian; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	6
Pages of publication	1897
a	8.9441 ± 0.0003 Å
b	12.0863 ± 0.0004 Å
c	13.5695 ± 0.0004 Å
α	101.594 ± 0.001°
β	108.78 ± 0.001°
γ	111.399 ± 0.001°
Cell volume	1205.72 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0559
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.276
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
179565 (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 4/50/34.	4503417.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503417.cif
41534	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503413, 4503414, 4503415, 4503416, 4503417 via cif-deposit CGI script.	4503417.cif