Crystallography Open Database

Information card for entry 1563765

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Coordinates	1563765.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,1,1-tetrakis {[(2'-(2-furfurylaminoformyl)phenoxyl]methyl }methane Neodymium(III) perchlorate
Formula	C106 H114 Cl3 N8 Nd O46
Calculated formula	C106 H108 Cl3 N8 Nd O46
SMILES	[Nd]([O]=C(NCc1occc1)c1ccccc1OCC(COc1c(C(=O)NCc2occc2)cccc1)(COc1c(C(=O)NCc2occc2)cccc1)COc1c(C(=O)NCc2occc2)cccc1)([O]=C(NCc1occc1)c1c(OCC(COc2c(C(=O)NCc3occc3)cccc2)(COc2c(C(=O)NCc3occc3)cccc2)COc2c(C(=O)NCc3occc3)cccc2)cccc1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
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	13.998 ± 0.008 Å
b	18.871 ± 0.01 Å
c	25.494 ± 0.014 Å
α	90.609 ± 0.008°
β	99.71 ± 0.009°
γ	102.62 ± 0.008°
Cell volume	6470 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2462
Residual factor for significantly intense reflections	0.0983
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2624
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1563765.cif