Crystallography Open Database

Information card for entry 7706477

Preview

Coordinates	7706477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H49 Cl3 Cu2 F60 N12 O26 Tb2
Calculated formula	C79 H49 Cl3 Cu2 F60 N12 O26 Tb2
Title of publication	Multifunctional properties of {CuLn} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity.
Authors of publication	Li, Hongdao; Jing, Pei; Lu, Jiao; Xi, Lu; Wang, Qi; Ding, Lifeng; Wang, Wen-Min; Song, Zhenjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	8
Pages of publication	2854 - 2863
a	12.1326 ± 0.0008 Å
b	15.9109 ± 0.001 Å
c	16.5448 ± 0.001 Å
α	66.63 ± 0.003°
β	82.789 ± 0.003°
γ	76.887 ± 0.003°
Cell volume	2853.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262599 (current)	2021-03-05	cif/ Updating files of 7706475, 7706476, 7706477, 7706478 Original log message: Adding full bibliography for 7706475--7706478.cif.	7706477.cif
261134	2021-01-22	cif/ Adding structures of 7706475, 7706476, 7706477, 7706478 via cif-deposit CGI script.	7706477.cif