Crystallography Open Database

Information card for entry 1563764

Preview

Coordinates	1563764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H60 Er N7 O24
Calculated formula	C57 H60 Er N7 O24
SMILES	[Er]123([O]=C(c4c(cccc4)OCC(COc4c(C(=O)NCc5ccco5)cccc4)(COc4c(C(=O)NCc5ccco5)cccc4)COc4c(C(=O)NCc5ccco5)cccc4)NCc4ccco4)(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([OH]C)[OH2].CC(=O)C
Title of publication	Synthesis, structure and luminescence properties of lanthanide complex with a new tetrapodal ligand featuring salicylamide arms
Authors of publication	Song, Xue-Qin; Wen, Xiao-Guang; Liu, Wei-Sheng; Wang, Da-Qi
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	1
Pages of publication	1 - 9
a	16.156 ± 0.004 Å
b	20.63 ± 0.005 Å
c	18.21 ± 0.004 Å
α	90°
β	91.847 ± 0.004°
γ	90°
Cell volume	6066 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0894
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
266769 (current)	2021-06-29	cif/ Adding structures of 1563761, 1563762, 1563763, 1563764, 1563765 via cif-deposit CGI script.	1563764.cif