Crystallography Open Database

Information card for entry 4503415

Preview

Coordinates	4503415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 N5 Nd O13
Calculated formula	C18 H32 N5 Nd O13
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	8.877 ± 0.002 Å
b	11.845 ± 0.003 Å
c	13.626 ± 0.003 Å
α	65.487 ± 0.009°
β	72.034 ± 0.012°
γ	68.491 ± 0.011°
Cell volume	1192 ± 0.5 Å³
Cell temperature	294.15 K
Ambient diffraction temperature	294.15 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	0.0432
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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.	4503415.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503415.cif
41534	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503413, 4503414, 4503415, 4503416, 4503417 via cif-deposit CGI script.	4503415.cif