Crystallography Open Database

Information card for entry 4503414

Preview

Coordinates	4503414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 N5 O13 Y
Calculated formula	C18 H31 N5 O13 Y
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	8.9506 ± 0.0005 Å
b	12.1202 ± 0.0006 Å
c	13.5301 ± 0.0007 Å
α	101.78 ± 0.001°
β	108.973 ± 0.001°
γ	111.26 ± 0.001°
Cell volume	1204.12 ± 0.11 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	0.0651
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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.	4503414.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503414.cif
41534	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503413, 4503414, 4503415, 4503416, 4503417 via cif-deposit CGI script.	4503414.cif