Crystallography Open Database

Information card for entry 1551740

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Structure parameters

Chemical name	(tris(2-(3-methyl-2-oxy-benzylideneamino)ethyl)amine)terbium(III)
Formula	C30 H33 N4 O3 Tb
Calculated formula	C30 H33 N4 O3 Tb
SMILES	C1C[N]2=Cc3c(c(ccc3)C)O[Tb]34562[N]1(CC[N]3=Cc1c(c(ccc1)C)O5)CC[N]4=Cc1c(c(ccc1)C)O6
Title of publication	Synthesis and Crystal Structure of a Terbium(III) Complex of Tris(2-(2-hydroxy-3-methylbenzylideneamino)ethyl)amine
Authors of publication	NAGAHARA, Keiko; KANESATO, Masatoshi; SATO, Ken-ichi; GOTO, Midori
Journal of publication	X-ray Structure Analysis Online
Year of publication	2011
Journal volume	27
Pages of publication	9
a	12.2874 ± 0.0004 Å
b	12.2874 ± 0.0004 Å
c	10.8085 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1413.24 ± 0.09 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0165
Residual factor for significantly intense reflections	0.0161
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551740.cif
216352	2019-06-20	cif/ Adding structures of 1551740 via cif-deposit CGI script.	1551740.cif